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

Systemtic Name: N-[(3-ethanoylphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6S/c1-9(21)10-3-2-4-12(5-10)17-16(27)18-15(22)11-6-13(19(23)24)8-14(7-11)20(25)26/h2-8H,1H3,(H2,17,18,22,27)