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

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

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

Isomeric SMILES

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

InChI

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