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

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3-methyl-benzamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-3-5-17(23)20-15-8-10-16(11-9-15)21-19(25)22-18(24)14-7-4-6-13(2)12-14/h4,6-12H,3,5H2,1-2H3,(H,20,23)(H2,21,22,24,25)