N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-bromanyl-2-chloranyl-benzamide Openeye Name: 5-bromo-2-chloro-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-bromo-2-chlorobenzamide Traditional Name: 5-bromo-2-chloro-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C15H17BrClN3OS MolecularWeight: 402.73698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C15H17BrClN3OS/c16-10-1-2-12(17)11(7-10)14(21)19-15(22)18-13-8-20-5-3-9(13)4-6-20/h1-2,7,9,13H,3-6,8H2,(H2,18,19,21,22)