2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-p-anisyl-butyramide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C22H27N3O2S/c1-5-20(21(26)24-14-16-6-10-19(27-4)11-7-16)28-22-17(13-23)8-9-18(25-22)12-15(2)3/h6-11,15,20H,5,12,14H2,1-4H3,(H,24,26)