N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-azanyl-5-chloranyl-2-methoxy-benzenecarbothioamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-azanyl-5-chloranyl-2-methoxy-benzenecarbothioamide Openeye Name: 4-amino-5-chloro-2-methoxy-N-[(3S)-quinuclidin-3-yl]benzenecarbothioamide CAS Name: 4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxybenzenecarbothioamide IUPAC Name: 4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxybenzenecarbothioamide Traditional Name: 4-amino-5-chloro-2-methoxy-N-[(3S)-quinuclidin-3-yl]thiobenzamide Formula: C15H20ClN3OS MolecularWeight: 325.8568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=S)NC2CN3CCC2CC3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=S)N[C@@H]2CN3CCC2CC3)Cl)N

InChI

InChI=1S/C15H20ClN3OS/c1-20-14-7-12(17)11(16)6-10(14)15(21)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,21)/t13-/m1/s1