Facile synthesis, crystal structure, biological evaluation, and molecular modeling studies of N-((4-acetyl phenyl) carbamothioyl) pivalamide as the multitarget-directed ligand

Facile synthesis, crystal structure, biological evaluation, and molecular modeling studies of N-((4-acetyl phenyl) carbamothioyl) pivalamide as the multitarget-directed ligand

The crystal structure of N-((4-acetylphenyl)carbamothioyl)pivalamide (3) was synthesized by inert refluxing pivaloyl isothiocyanate (2) and 4-aminoacetophenone in dry acetone. The spectroscopic characterization (1H-NMR, 13CNMR, FT-IR) and single crystal assays determined the structure of synthesized...

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Bibliographic Details
Main Authors: Aamer Saeed, Syeda Abida Ejaz, Aqsa Khalid, Pervaiz Ali Channar, Mubashir Aziz, Tanveer A. Wani, Seema Zargar, Sidra Hassan, Hammad Ismail, Dania Khalid, Muhammad Zaffar Hashmi, Tuncer Hökelek, Abdullahi Tunde Aborode
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-09-01
Series:Frontiers in Chemistry
Subjects:
synthesis
DFTs
Hirshfeld
molecular docking
in vitro
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.992701/full

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