N'-(1-isoquinolin-3-ylethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide

Systemtic Name: N'-(1-isoquinolin-3-ylethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide Openeye Name: N'-[1-(3-isoquinolyl)ethyl]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide CAS Name: N'-[1-(3-isoquinolinyl)ethyl]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide IUPAC Name: N'-(1-isoquinolin-3-ylethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide Traditional Name: N'-[1-(3-isoquinolyl)ethyl]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide Formula: C20H26N4S MolecularWeight: 354.51224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=N1)NNC(=S)N3CC4CCC(C3)CC4

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=N1)NNC(=S)N3CC4CCC(C3)CC4

InChI

InChI=1S/C20H26N4S/c1-14(19-10-17-4-2-3-5-18(17)11-21-19)22-23-20(25)24-12-15-6-7-16(13-24)9-8-15/h2-5,10-11,14-16,22H,6-9,12-13H2,1H3,(H,23,25)