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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-propyl-2-pyridinyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6-propylpyridin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-propyl-2-pyridyl)thio]butyramide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21N3O3S/c1-3-5-14-7-6-13(11-21)20(23-14)27-18(4-2)19(24)22-15-8-9-16-17(10-15)26-12-25-16/h6-10,18H,3-5,12H2,1-2H3,(H,22,24)