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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC(C)(C#N)C(C)C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC(C)(C#N)C(C)C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N4O3S/c1-5-25-16(15-6-7-17-18(10-15)28-9-8-27-17)11-23-20(25)29-12-19(26)24-21(4,13-22)14(2)3/h6-7,10-11,14H,5,8-9,12H2,1-4H3,(H,24,26)