N-cyclohexyl-3-methyl-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide

Systemtic Name: N-cyclohexyl-3-methyl-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: N-cyclohexyl-3-methyl-2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: N-cyclohexyl-3-methyl-2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]butanamide IUPAC Name: N-cyclohexyl-3-methyl-2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanylbutanamide Traditional Name: N-cyclohexyl-2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]-3-methyl-butyramide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O4S/c1-13(2)19(20(25)21-15-7-5-4-6-8-15)28-12-18(24)22-16-10-9-14(3)11-17(16)23(26)27/h9-11,13,15,19H,4-8,12H2,1-3H3,(H,21,25)(H,22,24)