3-nitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 3-nitro-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-3-nitro-benzamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c22-15(10-9-12-5-2-1-3-6-12)19-20-17(26)18-16(23)13-7-4-8-14(11-13)21(24)25/h1-8,11H,9-10H2,(H,19,22)(H2,18,20,23,26)