1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethanone Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H24N2O4S2/c1-4-28-16-5-6-17-20(11-16)30-22(23-17)29-13-21(25)24-8-7-14-9-18(26-2)19(27-3)10-15(14)12-24/h5-6,9-11H,4,7-8,12-13H2,1-3H3