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

Systemtic Name: N-[4-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[4-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[4-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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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=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-15-8-11-19(26(29)30)14-21(15)25-22(27)16(2)31-20-12-9-18(10-13-20)24-23(28)17-6-4-3-5-7-17/h8-14,16-17H,3-7H2,1-2H3,(H,24,28)(H,25,27)