4-phenyl-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzenecarbothioamide

Systemtic Name: 4-phenyl-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzenecarbothioamide Openeye Name: 4-phenyl-N-[2-(3-pyridylmethyl)quinuclidin-3-yl]benzenecarbothioamide CAS Name: 4-phenyl-N-[2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzenecarbothioamide IUPAC Name: 4-phenyl-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzenecarbothioamide Traditional Name: 4-phenyl-N-[2-(3-pyridylmethyl)quinuclidin-3-yl]thiobenzamide Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2CC3=CN=CC=C3)NC(=S)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN2CCC1C(C2CC3=CN=CC=C3)NC(=S)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3S/c30-26(23-10-8-21(9-11-23)20-6-2-1-3-7-20)28-25-22-12-15-29(16-13-22)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,22,24-25H,12-13,15-17H2,(H,28,30)