N'-[1-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide

Systemtic Name: N'-[1-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide Openeye Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide CAS Name: N'-[1-(1-oxido-2-pyridin-1-iumyl)ethyl]-1-azepanecarbothiohydrazide IUPAC Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide Traditional Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide Formula: C14H22N4OS MolecularWeight: 294.41568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCCCCC2

Isomeric SMILES

CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCCCCC2

InChI

InChI=1S/C14H22N4OS/c1-12(13-8-4-7-11-18(13)19)15-16-14(20)17-9-5-2-3-6-10-17/h4,7-8,11-12,15H,2-3,5-6,9-10H2,1H3,(H,16,20)