2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-homoveratryl-butyramide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C24H31N3O3S/c1-6-22(31-24-18(15-25)8-9-19(27-24)13-16(2)3)23(28)26-12-11-17-7-10-20(29-4)21(14-17)30-5/h7-10,14,16,22H,6,11-13H2,1-5H3,(H,26,28)