1-[(3,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-fluorophenyl)-6,7-dimethoxy-1-veratryl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29FN2O4S MolecularWeight: 496.593563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4F)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4F)OC)OC)OC

InChI

InChI=1S/C27H29FN2O4S/c1-31-23-10-9-17(14-24(23)32-2)13-22-19-16-26(34-4)25(33-3)15-18(19)11-12-30(22)27(35)29-21-8-6-5-7-20(21)28/h5-10,14-16,22H,11-13H2,1-4H3,(H,29,35)