(4R)-N-(4-fluorophenyl)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (4R)-N-(4-fluorophenyl)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-N-(4-fluorophenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-N-(4-fluorophenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-N-(4-fluorophenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-N-(4-fluorophenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O3S/c1-23-15-7-8-16(24-2)17-13(15)9-21(10-14(17)22)18(25)20-12-5-3-11(19)4-6-12/h3-8,14,22H,9-10H2,1-2H3,(H,20,25)/t14-/m0/s1