N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]-2-phenoxy-acetamide CAS Name: N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]-2-phenoxy-acetamide Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCSC)NC(=O)COC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCSC)NC(=O)COC3=CC=CC=C3)OC

InChI

InChI=1S/C24H30N2O5S/c1-29-21-13-17-9-11-26(15-18(17)14-22(21)30-2)24(28)20(10-12-32-3)25-23(27)16-31-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15-16H2,1-3H3,(H,25,27)