N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-piperonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H22N2O4S/c1-23-17-8-14-5-6-22(11-15(14)9-18(17)24-2)20(27)21-10-13-3-4-16-19(7-13)26-12-25-16/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,21,27)