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

Systemtic Name: (1R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC2=CC(=C(C=C2C1C3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-22-21(28)23-9-8-13-10-18(26-4)19(27-5)12-15(13)20(23)14-6-7-16(24-2)17(11-14)25-3/h6-7,10-12,20H,8-9H2,1-5H3,(H,22,28)/t20-/m1/s1