N'-(1-isoquinolin-3-ylethyl)azepane-1-carbothiohydrazide

Systemtic Name: N'-(1-isoquinolin-3-ylethyl)azepane-1-carbothiohydrazide Openeye Name: N'-[1-(3-isoquinolyl)ethyl]azepane-1-carbothiohydrazide CAS Name: N'-[1-(3-isoquinolinyl)ethyl]-1-azepanecarbothiohydrazide IUPAC Name: N'-(1-isoquinolin-3-ylethyl)azepane-1-carbothiohydrazide Traditional Name: N'-[1-(3-isoquinolyl)ethyl]azepane-1-carbothiohydrazide Formula: C18H24N4S MolecularWeight: 328.47496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=N1)NNC(=S)N3CCCCCC3

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=N1)NNC(=S)N3CCCCCC3

InChI

InChI=1S/C18H24N4S/c1-14(17-12-15-8-4-5-9-16(15)13-19-17)20-21-18(23)22-10-6-2-3-7-11-22/h4-5,8-9,12-14,20H,2-3,6-7,10-11H2,1H3,(H,21,23)