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

Systemtic Name: N-[ethyl(phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[ethyl(phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(N-ethylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[ethyl(phenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[ethyl(phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c1-2-18(12-6-4-3-5-7-12)16(26)17-15(21)11-8-13(19(22)23)10-14(9-11)20(24)25/h3-10H,2H2,1H3,(H,17,21,26)