Carvacrol, thymol and eugenol belong to a class of naturally presenting phenols with a ten-carbon unit, which are present in essential oils of many plants. These versatile molecules are incorporated as useful ingredients in many food products and find applications in agricultural, pharmaceutical, fragrance, cosmetic, flavor and other industries. They are wide ranging of biological and pharmaceutical activities: anti-inflammatory, antimicrobial, analgesic, anticancer and antioxidant. This review summarizes pharmacological and medicinal activities of these phytochemicals and their synthetic hybrids.

The terms phase transformation, polymorphism, disorder, isosterism, and isostructuralism are often the keywords used in the design and engineering of molecular crystals. Three benzoylcarvacryl thiourea derivatives with [-NH–C(S)–NH–C(O)-] cores generate molecular crystals, which provide the basis for exploring a common link between the structures related by aforementioned terms. The apparent “origin” of all these structural modifications has been traced to the formation of a planar molecular dimeric chain built with homomeric R2 2(12) and R2 2(8) synthons occurring in tandem, one formed with N–H···O and the other with N–H···S hydrogen bonds.

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Isopropyl group rotation observed in a single crystal of TACH appears to be a result of the counterbalance of molecular energetics and supramolecular packing in response to the thermal stimulus.