2-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-nitro-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-nitro-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-2-15(22)18-11-7-9-12(10-8-11)19-17(26)20-16(23)13-5-3-4-6-14(13)21(24)25/h3-10H,2H2,1H3,(H,18,22)(H2,19,20,23,26)