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

Systemtic Name: 3,5-dinitro-N-(1-phenylethylcarbamothioyl)benzamide Openeye Name: 3,5-dinitro-N-(1-phenylethylcarbamothioyl)benzamide CAS Name: 3,5-dinitro-N-[(1-phenylethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-(1-phenylethylcarbamothioyl)benzamide Traditional Name: 3,5-dinitro-N-(1-phenylethylthiocarbamoyl)benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c1-10(11-5-3-2-4-6-11)17-16(26)18-15(21)12-7-13(19(22)23)9-14(8-12)20(24)25/h2-10H,1H3,(H2,17,18,21,26)