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

Systemtic Name: (4R)-N-(1,3-benzodioxol-5-ylmethyl)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-4-hydroxy-5,8-dimethoxy-N-piperonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-24-15-5-6-17(25-2)19-13(15)9-22(10-14(19)23)20(28)21-8-12-3-4-16-18(7-12)27-11-26-16/h3-7,14,23H,8-11H2,1-2H3,(H,21,28)/t14-/m0/s1