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

Systemtic Name: 6,7-dimethoxy-N-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H19F3N2O3S MolecularWeight: 412.42597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)OC(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)OC(F)(F)F)OC

InChI

InChI=1S/C19H19F3N2O3S/c1-25-16-9-12-7-8-24(11-13(12)10-17(16)26-2)18(28)23-14-3-5-15(6-4-14)27-19(20,21)22/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,28)