Zn, Cd and Hg complexes with unsymmetric thiourea derivatives; syntheses, free radical scavenging and enzyme inhibition essay

Unsymmetrical thiourea of general formula RR’CS where R ≠ R′, were prepared by treating phenyisothiocayanate with iso-butylamine and tert-butylamine and respective thiourea derivatives, isobutylphenylthiourea (1) and tert-butylphenylthiourea (2) were obtained. These ligands were treated with ZnCl2, CdCl2 and HgI2 and neutral complexes bis(isobutylphenylthiourea)dichlorozinc(II) 3, bis(tert-butylphenylthiourea)dichlorozinc(II) 4, bis(isobutylphenylthiourea)dichlorocadmium(II) 5, bis(tert-butylphenylthiourea)dichl-orocadmium(II) 6, bis(isobutylphenylthiourea)diiodomercurry(II) 7, bis(tert-butylphenyl-thiourea)diiodomercurry(II) 8 were obtained. All compounds were structurally characterized with the help of FT-IR and NMR (1H and 13C) spectroscopy. Compounds 2, 3, 5, 7 are crystalline and their structure was confirmed by SC-XRD. Complexes and their starting precursors were evaluated for their antioxidant and enzyme inhibition potentials. Some of the compounds exhibited excellent antioxidant potentials. Molecular docking studies were also carried out for compounds 1–8. Unsymmetrical thiourea of general formula RR’CS where R ≠ R′, were used as ligands and complexes of general formula M(Tu)2Cl2 were obtained. All compounds were structurally characterized with the help of FT-IR, NMR (1H and 13C) spectroscopy and structure of a ligand and three complexes was confirmed by SC-XRD. All compounds were evaluated for their antioxidant and enzyme inhibition potentials. Some of the compounds exhibited excellent antioxidant potentials. Molecular docking studies were also carried out for compounds. [Display omitted] •Asymmetrical thiourea of general formula RR’CS and their Zn/Cd/Hg metal complexes were synthesized.•Structure of compounds were elucidated from respective FT-IR, NMR spectroscopic data.•Structure of a ligand and three complexes were confirmed by single crystal X-ray diffraction.•Ligands and respective complexes were evaluated as antioxidant agents and AChE and BChE inhibitor.•Molecular docking studies were carried out for all compounds.