3,5-dinitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6S/c1-2-15(23)18-11-4-3-5-12(8-11)19-17(29)20-16(24)10-6-13(21(25)26)9-14(7-10)22(27)28/h3-9H,2H2,1H3,(H,18,23)(H2,19,20,24,29)