N-[(3-ethanoylphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(3-ethanoylphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-10(20)12-3-2-4-13(9-12)17-16(24)18-15(21)11-5-7-14(8-6-11)19(22)23/h2-9H,1H3,(H2,17,18,21,24)