N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(1-ethyl-5-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NCC2COC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NCC2COC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-2-25-18(16-8-4-3-5-9-16)13-24-22(25)29-15-21(26)23-12-17-14-27-19-10-6-7-11-20(19)28-17/h3-11,13,17H,2,12,14-15H2,1H3,(H,23,26)