Structure and surface analyses of a newly synthesized acyl thiourea derivative along with its in silico and in vitro investigations for RNR, DNA binding, urease inhibition and radical scavenging activities.

ABSTRACT: N-((4-Acetylphenyl)carbamothioyl)-2,4-dichlorobenzamide (4) was synthesized by the treatment of 2,4-dichlorobenzoyl chloride with potassium thiocyanate in a 1 : 1 molar ratio in dry acetone to afford the 2,4-dichlorobenzoyl isothiocyanate in situ which on reaction with acetyl aniline furnished (4) in good yield and high purity. The compound was confirmed by FTIR, ¹H-NMR, and ¹³C-NMR and single crystal X-ray diffraction studies. The planar rings were situated at a dihedral angle of 33.32(6)°. The molecules, forming S(6) ring motifs with the intramolecular N-H⋯O hydrogen bonds, were linked through intermolecular C-H⋯O and N-H⋯S hydrogen bonds, enclosing R₂ ²(8) ring motifs, into infinite double chains along [101]. C-H⋯π and π⋯π intera

SUBMITTER: Khalid A 

PROVIDER: S-EPMC9185314 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature