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

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-10(21)17-12-3-2-4-13(9-12)18-16(25)19-15(22)11-5-7-14(8-6-11)20(23)24/h2-9H,1H3,(H,17,21)(H2,18,19,22,25)