N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(4-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(quinuclidin-3-ylcarbamothioyl)furan-2-carboxamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-(quinuclidin-3-ylthiocarbamoyl)-2-furamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3O2S/c20-14-3-1-13(2-4-14)16-5-6-17(25-16)18(24)22-19(26)21-15-11-23-9-7-12(15)8-10-23/h1-6,12,15H,7-11H2,(H2,21,22,24,26)