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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-diethoxy-N-piperonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C22H26N2O4S/c1-3-25-20-10-16-7-8-24(13-17(16)11-21(20)26-4-2)22(29)23-12-15-5-6-18-19(9-15)28-14-27-18/h5-6,9-11H,3-4,7-8,12-14H2,1-2H3,(H,23,29)