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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=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=C(C=C(C=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/c1-19-8-11-24(18-20(19)2)31-29(34)27(21-6-4-3-5-7-21)37-26-16-12-23(13-17-26)30-28(33)22-9-14-25(15-10-22)32(35)36/h3-18,27H,1-2H3,(H,30,33)(H,31,34)