Synthesis, Characterization, DFT Calculations and Anticoagulant Activity of Symmetrical and Unsymmetrical N-Aryl Thiourea Derivatives

The present study reports a methodology for the synthesis of symmetrical and unsymmetrical thiourea derivatives 1-9, which have been prepared in good overall yields from condensation reactions between phenylisothiocyanate and different primary amines. The structures of all products were confirmed by the spectroscopic analysis (UV, IR, and NMR). These derivatives were tested for anticoagulant activity using PT and APTT reagents, and those reagents are considered also a controller, the results showed that the theN-aryl thiourea derivatives have very high anticoagulant activity. Theoretical calculations based on DFT/B3LYP method have been performed in order to get insights into the molecular geometry and chemical reactivity of the studied compounds.