(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone Formula: C25H25NO3S3 MolecularWeight: 483.6659

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)C4SCCS4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)C4SCCS4)C5=CC=CS5)OC

InChI

InChI=1S/C25H25NO3S3/c1-28-20-14-18-9-10-26(23(22-4-3-11-30-22)19(18)15-21(20)29-2)24(27)16-5-7-17(8-6-16)25-31-12-13-32-25/h3-8,11,14-15,23,25H,9-10,12-13H2,1-2H3