N-[4-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(4-carbamoylanilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(4-carbamoylanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(4-carbamoylanilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H18N4O5S/c23-21(28)14-4-6-16(7-5-14)24-20(27)13-32-19-10-8-17(9-11-19)25-22(29)15-2-1-3-18(12-15)26(30)31/h1-12H,13H2,(H2,23,28)(H,24,27)(H,25,29)