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

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-31-19-11-10-15(12-18(19)26(29)30)21(28)25-22(32)24-17-9-5-8-16(13-17)23-20(27)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,27)(H2,24,25,28,32)