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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]acetamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C)C

InChI

InChI=1S/C18H23N3O3S/c1-4-5-8-21-13(3)12(2)19-18(21)25-10-17(22)20-14-6-7-15-16(9-14)24-11-23-15/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,20,22)