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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-isobutyl-2-pyridyl)thio]propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21N3O3S/c1-13(2)9-15-4-3-14(11-21)20(23-15)27-8-7-19(24)22-16-5-6-17-18(10-16)26-12-25-17/h3-6,10,13H,7-9,12H2,1-2H3,(H,22,24)