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

Systemtic Name: N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-methyl-2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H27N3O4S/c1-15-13-19(26(29)30)11-12-21(15)25-22(27)16(2)31-20-10-6-9-18(14-20)24-23(28)17-7-4-3-5-8-17/h6,9-14,16-17H,3-5,7-8H2,1-2H3,(H,24,28)(H,25,27)