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

Systemtic Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6S/c1-14-6-9-19(27(32)33)13-21(14)25-22(28)15(2)34-20-5-3-4-17(12-20)24-23(29)16-7-10-18(11-8-16)26(30)31/h3-13,15H,1-2H3,(H,24,29)(H,25,28)