The importance of mild steel lies in its industrial applications, and the fight against corrosion is very important from an ecological, economic, technical, and aesthetic view. The current study involves the use of pharmaceutical drugs namely GTN towards corrosion inhibiting reaction was examined by gravimetric and electrochemical approaches. From weight loss studies, maximum I.E (%) 94.04% reached for 60 mg/L concentration of GTN for 6 hrs immersion time. The Polarization measurements showed that the behaviour of GTN as mixed nature and surface assimilation of GTN at the superficial, such that water molecules are substituted at the solution-metal boundary. The corrosion resistance property of the studied inhibitor as coating was also evaluated in NaCl which shows better progress corrosion retardation property of coating in the saline medium. Theoretical calculations were employed using DFT to correlate with the experimental observations.