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

Systemtic Name: N-[(E)-1-pyridin-2-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-1-(2-pyridyl)propylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-1-(2-pyridinyl)propylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-1-pyridin-2-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-1-(2-pyridyl)propylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4S/c1-2-15(16-5-3-4-10-18-16)19-20-17(22)21-11-13-6-7-14(12-21)9-8-13/h3-5,10,13-14H,2,6-9,11-12H2,1H3,(H,20,22)/b19-15+