N-(1,3-benzodioxol-5-ylmethyl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C)C

InChI

InChI=1S/C19H25N3O3S/c1-4-5-8-22-14(3)13(2)21-19(22)26-11-18(23)20-10-15-6-7-16-17(9-15)25-12-24-16/h6-7,9H,4-5,8,10-12H2,1-3H3,(H,20,23)