N-[2,4-bis(fluoranyl)phenyl]-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,4-difluorophenyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,4-difluorophenyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H20F2N2O2S2 MolecularWeight: 446.533206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=C(C=C(C=C3)F)F)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=C(C=C(C=C3)F)F)C4=CC=CS4)OC

InChI

InChI=1S/C22H20F2N2O2S2/c1-27-18-10-13-7-8-26(22(29)25-17-6-5-14(23)11-16(17)24)21(20-4-3-9-30-20)15(13)12-19(18)28-2/h3-6,9-12,21H,7-8H2,1-2H3,(H,25,29)