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

Systemtic Name: N-(2-cyanoethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-phenyl-acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H24N4O3S/c1-2-27-20(18-9-10-21-22(15-18)31-14-13-30-21)16-26-24(27)32-17-23(29)28(12-6-11-25)19-7-4-3-5-8-19/h3-5,7-10,15-16H,2,6,12-14,17H2,1H3