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

Systemtic Name: 4-methyl-N-[4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]benzamide Openeye Name: 4-methyl-N-[4-[2-(2-methyl-5-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]benzamide CAS Name: 4-methyl-N-[4-[[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]benzamide IUPAC Name: 4-methyl-N-[4-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-5-nitro-anilino)-1-phenyl-ethyl]thio]phenyl]-4-methyl-benzamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C29H25N3O4S/c1-19-8-11-22(12-9-19)28(33)30-23-13-16-25(17-14-23)37-27(21-6-4-3-5-7-21)29(34)31-26-18-24(32(35)36)15-10-20(26)2/h3-18,27H,1-2H3,(H,30,33)(H,31,34)