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

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-isoamyl-acetamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NCCC(C)C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NCCC(C)C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H27N3O3S/c1-4-23-16(15-5-6-17-18(11-15)26-10-9-25-17)12-22-20(23)27-13-19(24)21-8-7-14(2)3/h5-6,11-12,14H,4,7-10,13H2,1-3H3,(H,21,24)