2-bromanyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H16BrN3O2S/c1-2-15(22)19-11-6-5-7-12(10-11)20-17(24)21-16(23)13-8-3-4-9-14(13)18/h3-10H,2H2,1H3,(H,19,22)(H2,20,21,23,24)