N-[(3-acetamidophenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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