6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(3-morpholinopropyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-[3-(4-morpholinyl)propyl]-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(3-morpholinopropyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H39N3O6S MolecularWeight: 545.69076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C=C3CCN2C(=S)NCCCN4CCOCC4)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C=C3CCN2C(=S)NCCCN4CCOCC4)OC)OC

InChI

InChI=1S/C28H39N3O6S/c1-32-22-15-19-7-10-31(28(38)29-8-6-9-30-11-13-37-14-12-30)26(21(19)18-23(22)33-2)20-16-24(34-3)27(36-5)25(17-20)35-4/h15-18,26H,6-14H2,1-5H3,(H,29,38)