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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,5-dibromo-2-methoxybenzamide Traditional Name: 3,5-dibromo-2-methoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C16H19Br2N3O2S MolecularWeight: 477.21396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2CN3CCC2CC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2CN3CCC2CC3)Br)Br

InChI

InChI=1S/C16H19Br2N3O2S/c1-23-14-11(6-10(17)7-12(14)18)15(22)20-16(24)19-13-8-21-4-2-9(13)3-5-21/h6-7,9,13H,2-5,8H2,1H3,(H2,19,20,22,24)