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

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H27F3N2O4S MolecularWeight: 532.57449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)C(F)(F)F)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)C(F)(F)F)OC)OC

InChI

InChI=1S/C27H27F3N2O4S/c1-33-20-8-10-21(11-9-20)36-16-23-22-15-25(35-3)24(34-2)14-17(22)12-13-32(23)26(37)31-19-6-4-18(5-7-19)27(28,29)30/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,31,37)