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

Systemtic Name: N-cyclohexyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-cyclohexyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-cyclohexyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-cyclohexyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-cyclohexyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H31F3N2O3S MolecularWeight: 508.59615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)COC4=CC=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)COC4=CC=CC(=C4)C(F)(F)F)OC

InChI

InChI=1S/C26H31F3N2O3S/c1-32-23-13-17-11-12-31(25(35)30-19-8-4-3-5-9-19)22(21(17)15-24(23)33-2)16-34-20-10-6-7-18(14-20)26(27,28)29/h6-7,10,13-15,19,22H,3-5,8-9,11-12,16H2,1-2H3,(H,30,35)