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

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H25N3O5S/c1-4-26-17(15-5-7-19-21(11-15)31-10-9-30-19)13-24-23(26)32-14-22(27)25-16-6-8-18(28-2)20(12-16)29-3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,25,27)