2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H25N3O3S/c1-2-27-20(18-7-8-21-22(13-18)30-12-11-29-21)14-25-24(27)31-16-23(28)26-10-9-17-5-3-4-6-19(17)15-26/h3-8,13-14H,2,9-12,15-16H2,1H3