N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-methylimidazol-2-yl)thio]butyramide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C

InChI

InChI=1S/C15H17N3O3S/c1-3-13(22-15-16-6-7-18(15)2)14(19)17-10-4-5-11-12(8-10)21-9-20-11/h4-8,13H,3,9H2,1-2H3,(H,17,19)