N-[3-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C28H22ClN3O5S MolecularWeight: 548.00938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H22ClN3O5S/c1-37-25-15-12-21(17-24(25)29)31-28(34)26(18-6-3-2-4-7-18)38-23-9-5-8-20(16-23)30-27(33)19-10-13-22(14-11-19)32(35)36/h2-17,26H,1H3,(H,30,33)(H,31,34)