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

Systemtic Name: N-(cyanomethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-phenyl-acetamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c1-2-26-19(17-8-9-20-21(14-17)30-13-12-29-20)15-25-23(26)31-16-22(28)27(11-10-24)18-6-4-3-5-7-18/h3-9,14-15H,2,11-13,16H2,1H3