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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-chloranyl-5-iodanyl-benzamide Openeye Name: 2-chloro-5-iodo-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-chloro-5-iodobenzamide Traditional Name: 2-chloro-5-iodo-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C15H17ClIN3OS MolecularWeight: 449.73745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClIN3OS/c16-12-2-1-10(17)7-11(12)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)