3,5-dinitro-N-(phenethylcarbamothioyl)benzamide

Systemtic Name: 3,5-dinitro-N-(phenethylcarbamothioyl)benzamide Openeye Name: 3,5-dinitro-N-(phenethylcarbamothioyl)benzamide CAS Name: 3,5-dinitro-N-[(phenethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-(phenethylcarbamothioyl)benzamide Traditional Name: 3,5-dinitro-N-(phenethylthiocarbamoyl)benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c21-15(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16(26)17-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,17,18,21,26)