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

Systemtic Name: 6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 6,7-dimethoxy-2-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazino)propyl]-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H38N4O4S/c1-30-13-15-32(16-14-30)12-6-11-29-27(33)25-21-17-23(35-3)24(36-4)18-22(21)28(34)31(2)26(25)19-7-9-20(37-5)10-8-19/h7-10,17-18,25-26H,6,11-16H2,1-5H3,(H,29,33)