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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4)C

InChI

InChI=1S/C21H27N3O3S/c1-14-15(2)24(17-6-4-3-5-7-17)21(23-14)28-12-20(25)22-11-16-8-9-18-19(10-16)27-13-26-18/h8-10,17H,3-7,11-13H2,1-2H3,(H,22,25)