New Isatin Derivatives Based Isopropyl-Thiosemicarbazone: Synthesis, Spectroscopic Characterization, and Theoretical Studies

Abstract

A series of isatin derivatives based isopropyl-thiosemicarbazone (4–11) were synthesized through the reaction of various isatin derivatives with N-isopropylhydrazinecarbothioamide. The thiosemicarbazide intermediate was obtained by reacting isopropyl isothiocyanate with hydrazine monohydrate. Structural characterization and purity assessment of the synthesized compounds were performed using 1H and 13C NMR, FT-IR spectroscopy, and elemental analysis. Furthermore, to shed light on the stability and reactivity of the compounds, DFT calculations were performed, and the results were used to comparatively analyse the structural and electronic characterization of the compounds.