N-[3-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C29H24ClN3O5S MolecularWeight: 562.03596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24ClN3O5S/c1-18-14-25(26(38-2)17-24(18)30)32-29(35)27(19-8-4-3-5-9-19)39-23-13-7-11-21(16-23)31-28(34)20-10-6-12-22(15-20)33(36)37/h3-17,27H,1-2H3,(H,31,34)(H,32,35)