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

Systemtic Name: (4R)-N-(2-ethylphenyl)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-N-(2-ethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-N-(2-ethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-N-(2-ethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-N-(2-ethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CC(C3=C(C=CC(=C3C2)OC)OC)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2C[C@@H](C3=C(C=CC(=C3C2)OC)OC)O

InChI

InChI=1S/C20H24N2O3S/c1-4-13-7-5-6-8-15(13)21-20(26)22-11-14-17(24-2)9-10-18(25-3)19(14)16(23)12-22/h5-10,16,23H,4,11-12H2,1-3H3,(H,21,26)/t16-/m0/s1