6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-N-(3-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-N-(3-pyridinylmethyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-N-(3-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H27N3O4S/c1-29-24(17-7-9-18(34-4)10-8-17)23(25(30)28-15-16-6-5-11-27-14-16)19-12-21(32-2)22(33-3)13-20(19)26(29)31/h5-14,23-24H,15H2,1-4H3,(H,28,30)