N-[3-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O4S/c1-19-14-15-20(2)26(16-19)31-29(34)27(21-8-4-3-5-9-21)37-25-13-7-11-23(18-25)30-28(33)22-10-6-12-24(17-22)32(35)36/h3-18,27H,1-2H3,(H,30,33)(H,31,34)