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

Systemtic Name: 3-chloranyl-N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[4-[2-(2-methyl-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]benzamide CAS Name: 3-chloro-N-[4-[[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[4-[[2-keto-2-(2-methyl-4-nitro-anilino)-1-phenyl-ethyl]thio]phenyl]benzamide Formula: C28H22ClN3O4S MolecularWeight: 532.00998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN3O4S/c1-18-16-23(32(35)36)12-15-25(18)31-28(34)26(19-6-3-2-4-7-19)37-24-13-10-22(11-14-24)30-27(33)20-8-5-9-21(29)17-20/h2-17,26H,1H3,(H,30,33)(H,31,34)