The influence of substituents of thiourea on the stabilization effect of copper deposition has been studied by chemical and electrochemical methods. The stabilization action of the N-phenyl thiourea and N,N' diphenyl thiourea were screened by Anodic, cathodic polarization, and impedance measurements.The calculations of global reactivity indices of the additives such as the localization of frontier molecular orbital's, EHOMO, ELUMO, energy gap (ΔE) and dipole moment (μ) were used to substantiate the effective adsorption of the compounds on metal surface being responsible for stability of the bath.