2,6-dimethoxy-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]benzamide Openeye Name: 2,6-dimethoxy-N-[3-[2-(4-nitroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]benzamide CAS Name: 2,6-dimethoxy-N-[3-[[2-(4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)-1-phenyl-ethyl]thio]phenyl]-2,6-dimethoxy-benzamide Formula: C29H25N3O6S MolecularWeight: 543.5903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O6S/c1-37-24-12-7-13-25(38-2)26(24)28(33)31-21-10-6-11-23(18-21)39-27(19-8-4-3-5-9-19)29(34)30-20-14-16-22(17-15-20)32(35)36/h3-18,27H,1-2H3,(H,30,34)(H,31,33)