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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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