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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCC4)C

InChI

InChI=1S/C20H25N3O3S/c1-13-14(2)23(16-5-3-4-6-16)20(22-13)27-11-19(24)21-10-15-7-8-17-18(9-15)26-12-25-17/h7-9,16H,3-6,10-12H2,1-2H3,(H,21,24)