N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-2-methyl-benzamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2C

InChI

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