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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C24H31N3O3S/c1-5-7-8-19-11-10-18(16-25)24(27-19)31-22(6-2)23(28)26-14-13-17-9-12-20(29-3)21(15-17)30-4/h9-12,15,22H,5-8,13-14H2,1-4H3,(H,26,28)