4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide CAS Name: 4-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide Traditional Name: N-benzyl-4-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]benzamide Formula: C24H22ClN3O2S MolecularWeight: 451.96838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H22ClN3O2S/c25-21-9-5-4-8-18(21)12-15-22(29)28-24(31)27-20-13-10-19(11-14-20)23(30)26-16-17-6-2-1-3-7-17/h1-11,13-14H,12,15-16H2,(H,26,30)(H2,27,28,29,31)