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

Systemtic Name: (4R)-5,8-dimethoxy-4-oxidanyl-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-4-hydroxy-5,8-dimethoxy-N-[2-(phenylthio)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-4-hydroxy-5,8-dimethoxy-N-[2-(phenylthio)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-24-17-8-9-18(25-2)19-15(17)12-22(13-16(19)23)20(26)21-10-11-27-14-6-4-3-5-7-14/h3-9,16,23H,10-13H2,1-2H3,(H,21,26)/t16-/m0/s1