N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(3,5-dimethyl-1-piperidyl)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(3,5-dimethylpiperidino)propyl]-1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H41N3O4S MolecularWeight: 539.72924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C30H41N3O4S/c1-19-14-20(2)18-33(17-19)13-7-12-31-29(34)27-23-15-25(36-4)26(37-5)16-24(23)30(35)32(3)28(27)21-8-10-22(38-6)11-9-21/h8-11,15-16,19-20,27-28H,7,12-14,17-18H2,1-6H3,(H,31,34)