N-(1,3-benzodioxol-5-yl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-isobutyl-2-pyridyl)thio]butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C=CC(=N3)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C=CC(=N3)CC(C)C)C#N

InChI

InChI=1S/C21H23N3O3S/c1-4-19(20(25)23-16-7-8-17-18(10-16)27-12-26-17)28-21-14(11-22)5-6-15(24-21)9-13(2)3/h5-8,10,13,19H,4,9,12H2,1-3H3,(H,23,25)