6,7-dimethoxy-N-phenethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-phenethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-phenethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-phenethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-phenethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-phenethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H29F3N2O3S MolecularWeight: 530.60167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCCC3=CC=CC=C3)COC4=CC=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCCC3=CC=CC=C3)COC4=CC=CC(=C4)C(F)(F)F)OC

InChI

InChI=1S/C28H29F3N2O3S/c1-34-25-15-20-12-14-33(27(37)32-13-11-19-7-4-3-5-8-19)24(23(20)17-26(25)35-2)18-36-22-10-6-9-21(16-22)28(29,30)31/h3-10,15-17,24H,11-14,18H2,1-2H3,(H,32,37)