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

Systemtic Name: N-butyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-butyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-butyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-butyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-butyl-6,7-dimethoxy-1-[[3-(trifluoromethyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C24H29F3N2O3S MolecularWeight: 482.55887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29F3N2O3S/c1-4-5-10-28-23(33)29-11-9-16-12-21(30-2)22(31-3)14-19(16)20(29)15-32-18-8-6-7-17(13-18)24(25,26)27/h6-8,12-14,20H,4-5,9-11,15H2,1-3H3,(H,28,33)