N-(1-cyanocyclohexyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC2(CCCCC2)C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC2(CCCCC2)C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N4O3S/c1-2-26-17(16-6-7-18-19(12-16)29-11-10-28-18)13-24-21(26)30-14-20(27)25-22(15-23)8-4-3-5-9-22/h6-7,12-13H,2-5,8-11,14H2,1H3,(H,25,27)