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

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-2-phenylacetamide IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-2-phenylacetamide Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-2-phenyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SC(C2=CC=CC=C2)C(=O)N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SC(C2=CC=CC=C2)C(=O)N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3S/c1-2-24-16(15-8-9-17-18(12-15)27-11-10-26-17)13-23-21(24)28-19(20(22)25)14-6-4-3-5-7-14/h3-9,12-13,19H,2,10-11H2,1H3,(H2,22,25)