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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-piperonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O2S/c23-18(20-8-7-14-3-1-2-4-15(14)11-20)19-10-13-5-6-16-17(9-13)22-12-21-16/h1-6,9H,7-8,10-12H2,(H,19,23)