Two slightly distorted octahedral complexes of copper(II) with (E)-2-((E)-3-(3,4,5-trimethoxyphenyl)allylidene)hydrazinecarbothioamide (L1) common name 3,4,5-trimethoxy-cinnamaldehydethiosemicarbazone and (E)-N-phenyl-2-((E)-3-(3,4,5-trimethoxyphenyl)-allylidene)hydrazinecarbothioamide (L2) common name 3,4,5-trimethoxycinnamaldehyde-4-phenylthiosemicarbazone have been synthesized. The two free ligands and their copper(II) complexes were characterized by spectroscopic techniques like FT-IR, FT-Raman, UV, EPR, Powder X-ray diffraction and cyclic voltammetry. The EPR spectra evidenced a rhombically distorted octahedron geometry for both the copper(II) complexes. The band gap calculations for the ligands L1, L2 and their complexes Cu(L1)₂Cl₂ and Cu(L2)₂Cl₂ were found to be 2.98, 2.61, 2.66 and 2.50 eV respectively. Cu(L1)₂Cl₂ and Cu(L2)₂Cl₂ have shown 50% of viability at 80 μg/ml and 60 μg/ml. The anti-oxidant activity study revealed that the compounds are good reductants of DPPH radical. Moderate to good anti-bacterial activity is shown by the compounds against the Gram-positive and Gram-negative bacteria. Molecular docking studies have been carried out to predict the orientation and binding mode of analysis in the active site. The synthesized ligand and complex well occupy (catalytic triad and adenine-binding site) in the active site of β-ketoacyl-acyl carrier protein synthase III enzyme, and also well occupy in helix 11 (in the DCS complex) of human estrogen receptor. Moreover they form water mediated hydrogen bond and hydrogen bond with Cys530 residue.

铜（II）与（E）-2-（（E）-3-（3,4,5-三甲氧基苯基）烯丙基）肼甲硫代氨基甲酰胺（L1）的两种略有扭曲的八面体络合物，通用名称3,4,5-三甲氧基-肉桂醛硫代半脲合成了（E）-N-苯基-2-（（E）-3-（3,4,5-三甲氧基苯基）-亚芳基）肼基碳硫代酰胺（L2），通用名3,4,5-三甲氧基肉桂醛-4-苯基硫代半脲。通过光谱技术，如FT-IR，FT-拉曼光谱，UV，EPR，粉末X射线衍射和循环伏安法对这两个游离配体及其铜（II）配合物进行表征。EPR谱证明两种铜（II）配合物的菱形扭曲的八面体几何形状。配体L1，L2及其配合物Cu（L1）₂ Cl ₂和Cu（L2）₂ Cl的带隙计算发现_2个分别为2.98、2.61、2.66和2.50 eV。Cu（L1）₂ Cl ₂和Cu（L2）₂ Cl ₂在80μg/ ml和60μg/ ml下显示出50％的活力。抗氧化活性研究表明，该化合物是DPPH自由基的良好还原剂。该化合物对革兰氏阳性和革兰氏阴性细菌显示出中等至良好的抗菌活性。已经进行了分子对接研究以预测活性位点中分析的方向和结合模式。合成的配体和复合物很好地占据了β的活性位点（催化三单元和腺嘌呤结合位点）-酮酰基-酰基载体蛋白合酶III酶，并且也很好地占据了人类雌激素受体的11螺旋（在DCS复合物中）。此外，它们形成水介导的氢键和与Cys530残基的氢键。