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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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