(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1R)-6,7-dimethoxy-N-methyl-1-veratryl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

CNC(=S)N1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-23-22(29)24-9-8-15-12-20(27-4)21(28-5)13-16(15)17(24)10-14-6-7-18(25-2)19(11-14)26-3/h6-7,11-13,17H,8-10H2,1-5H3,(H,23,29)/t17-/m1/s1