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

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-10(22)18-12-4-6-13(7-5-12)19-17(27)20-16(23)11-3-8-15(26-2)14(9-11)21(24)25/h3-9H,1-2H3,(H,18,22)(H2,19,20,23,27)