2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-(methylthio)-1H-isoquinolin-3-one IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-(methylthio)-1H-isoquinolin-3-one Formula: C24H30BrNO5S MolecularWeight: 524.4677

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(CN(C1=O)CCC3=CC(=C(C=C3Br)OC)OC)C(=C(C=C2)OC)OC)SC

Isomeric SMILES

CCC1(C2=C(CN(C1=O)CCC3=CC(=C(C=C3Br)OC)OC)C(=C(C=C2)OC)OC)SC

InChI

InChI=1S/C24H30BrNO5S/c1-7-24(32-6)17-8-9-19(28-2)22(31-5)16(17)14-26(23(24)27)11-10-15-12-20(29-3)21(30-4)13-18(15)25/h8-9,12-13H,7,10-11,14H2,1-6H3