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

Systemtic Name: 3,3-dimethyl-N-[4-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[4-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C22H27N3O4S MolecularWeight: 429.53248

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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)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-14-6-9-17(25(28)29)12-19(14)24-21(27)15(2)30-18-10-7-16(8-11-18)23-20(26)13-22(3,4)5/h6-12,15H,13H2,1-5H3,(H,23,26)(H,24,27)