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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-26-19(17-6-3-2-4-7-17)15-25-23(26)31-16-22(28)27(11-5-10-24)18-8-9-20-21(14-18)30-13-12-29-20/h2-4,6-9,14-15H,5,11-13,16H2,1H3