3,5-dinitro-N-(1-phenylpropylcarbamothioyl)benzamide

Systemtic Name: 3,5-dinitro-N-(1-phenylpropylcarbamothioyl)benzamide Openeye Name: 3,5-dinitro-N-(1-phenylpropylcarbamothioyl)benzamide CAS Name: 3,5-dinitro-N-[(1-phenylpropylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-(1-phenylpropylcarbamothioyl)benzamide Traditional Name: 3,5-dinitro-N-(1-phenylpropylthiocarbamoyl)benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-2-15(11-6-4-3-5-7-11)18-17(27)19-16(22)12-8-13(20(23)24)10-14(9-12)21(25)26/h3-10,15H,2H2,1H3,(H2,18,19,22,27)