1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]ethanone Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC

InChI

InChI=1S/C25H23N3O3S2/c1-30-20-12-16-9-10-28(14-17(16)13-21(20)31-2)23(29)15-33-25-18-6-3-4-7-19(18)26-24(27-25)22-8-5-11-32-22/h3-8,11-13H,9-10,14-15H2,1-2H3