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

Systemtic Name: N-[4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]-4-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=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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