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

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-propanamide 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-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylpropanamide 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]propionamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SC(C)C(=O)NC(C)(C#N)C(C)C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN1C(=CN=C1SC(C)C(=O)NC(C)(C#N)C(C)C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H28N4O3S/c1-6-26-17(16-7-8-18-19(11-16)29-10-9-28-18)12-24-21(26)30-15(4)20(27)25-22(5,13-23)14(2)3/h7-8,11-12,14-15H,6,9-10H2,1-5H3,(H,25,27)