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

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithian-2-yl)phenyl]methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithian-2-yl)phenyl]methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithian-2-yl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithian-2-yl)phenyl]methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,3-dithian-2-yl)phenyl]methanone Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)C4SCCCS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)C4SCCCS4)OC

InChI

InChI=1S/C22H25NO3S2/c1-25-19-12-17-8-9-23(14-18(17)13-20(19)26-2)21(24)15-4-6-16(7-5-15)22-27-10-3-11-28-22/h4-7,12-13,22H,3,8-11,14H2,1-2H3