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

Systemtic Name: N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O6S/c1-14-8-9-18(26(31)32)12-20(14)24-21(27)13-33-19-7-3-5-16(11-19)23-22(28)15-4-2-6-17(10-15)25(29)30/h2-12H,13H2,1H3,(H,23,28)(H,24,27)