An expedient synthesis spectral characteristic computational studies and target prediction through insilco studies of 24α-ethylcholest-5, 22E-dien-3-yl-2- mercapto-benzoate and 11, 17 di-hydroxy preg-4-ene-3, 20-dione-21-yl-2-mercapto-benzoate

•Stigmasterol-thiosalicylate 3 and hydrocortisone thiosalicylate 4 were structurally characterized by 1H, 13C NMR, UV and FT-IR.•DFT studies supported the experimental values interpreted in the spectras.•High values for three global reactivity parameters shows that compound 4 acts as a good electrophile.•AIM (Atom in molecule) analysis is used to evaluate the strength of H-bonding and its intra molecular interactions.▪.•In silico molecular docking of the synthesized compounds.