Divalent manganese, cobalt, copper and cadmium complexes of (Z)-N-benzoyl-N′-(1H-1,2,4-triazol-3-yl)carbamimidothioic acid: Preparation, characterization, computational and biological studies

In this work, (Z)-N-benzoyl-N '-(1H-1,2,4-triazol-3-yl)carbamimidothioic acid and its Mn(II), Co(II), Cu(II) and Cd(II) complexes were introduced for the first time. This carbonyl thiourea ligand was prepared by the reaction of 1H-1,2,4-triazol-3-amine with benzoyl isothiocyanate. The structural elucidation of these compounds was performed using elemental analysis and spectral and magnetic measurements. Octahedral structures of all complexes, except Cd(II) complex with a tetrahedral geometry, were confirmed by applying DFT structural optimization. The thermal decomposition behaviour of metal complexes of carbonyl thiourea ligand is discussed. The calculation of kinetic parameters for prepared complexes (E-a, A, Delta H*, Delta S* and Delta G*) of all thermal degradation stages has been evaluated using two comparable approaches. Antimicrobial and ABTS-antioxidant studies indicated potent activity of Cd(II) complex compared with the other investigated compounds. The cytotoxic activity of the prepared compounds was investigated in vitro. The results indicated potent activity of Mn(II) complex against both HePG2 (liver carcinoma) and MCF-7 (breast carcinoma) cancer cells.

Automated summary

A novel carbonyl thiourea ligand and its metal complexes were synthesized and characterized in this study, with discussions on their thermal decomposition behavior and evaluation of their antimicrobial, antioxidant, and cytotoxic activities. The results indicated promising activity of the Cd(II) complex in antimicrobial and antioxidant studies, while the Mn(II) complex showed potent cytotoxic activity against liver and breast cancer cells.