N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-phenylmethoxy-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-21(24-22(28)23-20-14-25-11-9-17(20)10-12-25)18-7-4-8-19(13-18)27-15-16-5-2-1-3-6-16/h1-8,13,17,20H,9-12,14-15H2,(H2,23,24,26,28)