N-[(E)-1-pyridin-2-ylbutylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide

Systemtic Name: N-[(E)-1-pyridin-2-ylbutylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-1-(2-pyridyl)butylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-1-(2-pyridinyl)butylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-1-pyridin-2-ylbutylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-1-(2-pyridyl)butylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3

Isomeric SMILES

CCC/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3

InChI

InChI=1S/C18H26N4S/c1-2-5-17(16-6-3-4-11-19-16)20-21-18(23)22-12-14-7-8-15(13-22)10-9-14/h3-4,6,11,14-15H,2,5,7-10,12-13H2,1H3,(H,21,23)/b20-17+