4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-fluoranyl-benzenecarbothioamide

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-fluoranyl-benzenecarbothioamide Openeye Name: 3-fluoro-4-(quinuclidin-3-ylamino)benzenecarbothioamide CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-fluorobenzenecarbothioamide IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-fluorobenzenecarbothioamide Traditional Name: 3-fluoro-4-(quinuclidin-3-ylamino)thiobenzamide Formula: C14H18FN3S MolecularWeight: 279.376223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=C(C=C(C=C3)C(=S)N)F

Isomeric SMILES

C1CN2CCC1C(C2)NC3=C(C=C(C=C3)C(=S)N)F

InChI

InChI=1S/C14H18FN3S/c15-11-7-10(14(16)19)1-2-12(11)17-13-8-18-5-3-9(13)4-6-18/h1-2,7,9,13,17H,3-6,8H2,(H2,16,19)