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

Systemtic Name: N-ethyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-ethyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-ethyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-ethyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-ethyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H25F3N2O3S MolecularWeight: 454.50571

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=CC(=C3)C(F)(F)F)OC)OC

Isomeric SMILES

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=CC(=C3)C(F)(F)F)OC)OC

InChI

InChI=1S/C22H25F3N2O3S/c1-4-26-21(31)27-9-8-14-10-19(28-2)20(29-3)12-17(14)18(27)13-30-16-7-5-6-15(11-16)22(23,24)25/h5-7,10-12,18H,4,8-9,13H2,1-3H3,(H,26,31)