(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(thiazol-4-ylmethylsulfanyl)phenyl]methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-thiazolylmethylthio)phenyl]methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(thiazol-4-ylmethylthio)phenyl]methanone Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3SCC4=CSC=N4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3SCC4=CSC=N4)OCC

InChI

InChI=1S/C24H26N2O3S2/c1-3-28-21-11-17-9-10-26(13-18(17)12-22(21)29-4-2)24(27)20-7-5-6-8-23(20)31-15-19-14-30-16-25-19/h5-8,11-12,14,16H,3-4,9-10,13,15H2,1-2H3