Novel thiourea derivative and its complexes: Synthesis, characterization, DFT computations, thermal and electrochemical behavior, antioxidant and antitumor activities

Synthesis, Characterization, Biological and Antitumor Activity of Co(II) , Ni (II) , Cu(II) and Zn (II) Complexes of N-(2-Chlorophenyl)-N’-Benzoyl Thiourea

“…However, the lack of the characteristic vibrations of υ(S-H) around 2500-2600cm -1 [10] and presence of a peak at 3312cm -1 characteristic of υ(N-H) [11] confirmed the absence of tautomeric form (N=C-SH) and (N=C-OH). Two sharp intense bands observed at 1669 and 1329 cm-1can be ascribed to the stretching vibration of carbonyl group υ(C=O) and thionyl group υ(C=S) respectively [12,13]. These observations confirmed the ketonic-thion form of the ligand in the solid-state [14].…”

Syntheses, Structures, and Bioactivity Evaluation of some Transition Metal Complexes with Aroylbis(N,N‐diethylthioureas) Derived from Natural Compounds

“…Although HL 1 and its Ni(II) and Cu(II) complexes (IC 50 values>50 μM) show weak growth inhibition for both HepG2 and MCF7 cancer cells, the IC 50 values are comparable with those of some aroylthioureas, [18c,d] and similar homoleptic complexes tested against the same cell lines (Figure 6). [19e,g] Surprisingly, the tris ‐complex [Co(L 1 ) 3 ] exhibits high cytotoxicity. The activity against MCF7 cells is even more than that of cisplatin under the same experimental condition.…”

A Dual Approach on Experimental, Theoretical Insight of Structural Elucidation, Hirshfeld Surface Analysis, Optical and Electrochemical Properties of Acyl Thiourea-Ethynyl Hybrid Derivatives

“…The existence of lpO*(N-H) distant interaction, corresponding to 21.8/21.4 kcal/mol for the S conformation of the Th1 and Th2 species, is shown by the second-order perturbation analysis of the Fock matrix [B3LYP/6-31G (d,p) level of theory]. To the best of our knowledge, these donor-acceptor energy interactions are the highest values determined for 1-acyl thioureas, with usual E (2) values in the range 8-10 kcal/ mol. For comparison, similar lpO → σ*(N-H) interaction in acetamide derivatives, namely benzenesulfonylamin amount up to ca.…”

“…During the last decades, the chemical family of carbonyl thiourea derivatives have attracted great interest among researchers as versatile compounds with remarkable potential applications in several fields [1][2][3]. Acyl-thioureas are found to show broad uses in coordination chemistry, due to the uniqueness of acyl-thiourea derivatives which have ability to form a complexation with various metal ions due to its multidentate characteristic [4][5][6].…”