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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23N3O3S/c1-3-5-6-15-8-7-14(12-22)21(24-15)28-19(4-2)20(25)23-16-9-10-17-18(11-16)27-13-26-17/h7-11,19H,3-6,13H2,1-2H3,(H,23,25)