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

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-homoveratryl-butyramide Formula: C22H27N3O3S MolecularWeight: 413.53308

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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)C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-6-20(29-22-17(13-23)14(2)11-15(3)25-22)21(26)24-10-9-16-7-8-18(27-4)19(12-16)28-5/h7-8,11-12,20H,6,9-10H2,1-5H3,(H,24,26)