N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclopentyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentylimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-cyclopentylimidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O3S/c22-17(20-10-13-5-6-15-16(9-13)24-12-23-15)11-25-18-19-7-8-21(18)14-3-1-2-4-14/h5-9,14H,1-4,10-12H2,(H,20,22)