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

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithiolan-2-yl)phenyl]methanone Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)C4SCCS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C21H23NO3S2/c1-24-18-11-16-7-8-22(13-17(16)12-19(18)25-2)20(23)14-3-5-15(6-4-14)21-26-9-10-27-21/h3-6,11-12,21H,7-10,13H2,1-2H3