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

Systemtic Name: N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-5-nitro-anilino)-1-phenyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C28H22N4O6S MolecularWeight: 542.56248

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H22N4O6S/c1-18-10-13-23(32(37)38)17-25(18)30-28(34)26(19-6-3-2-4-7-19)39-24-9-5-8-21(16-24)29-27(33)20-11-14-22(15-12-20)31(35)36/h2-17,26H,1H3,(H,29,33)(H,30,34)