N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chloranyl-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chloranyl-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chlorobenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3-chloro-benzamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-2-4-16(23)20-14-7-9-15(10-8-14)21-18(25)22-17(24)12-5-3-6-13(19)11-12/h3,5-11H,2,4H2,1H3,(H,20,23)(H2,21,22,24,25)