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

Systemtic Name: N-[3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(2-methylanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(2-methylanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-keto-2-(o-toluidino)-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C28H23N3O4S MolecularWeight: 497.56492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H23N3O4S/c1-19-9-5-6-16-25(19)30-28(33)26(20-10-3-2-4-11-20)36-24-15-8-13-22(18-24)29-27(32)21-12-7-14-23(17-21)31(34)35/h2-18,26H,1H3,(H,29,32)(H,30,33)