N-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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