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

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methyl]benzenecarbothioamide Openeye Name: 4-amino-5-chloro-N-[(3-hydroxyquinuclidin-3-yl)methyl]-2-methoxy-benzenecarbothioamide CAS Name: 4-amino-5-chloro-N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-2-methoxybenzenecarbothioamide IUPAC Name: 4-amino-5-chloro-N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-2-methoxybenzenecarbothioamide Traditional Name: 4-amino-5-chloro-N-[(3-hydroxyquinuclidin-3-yl)methyl]-2-methoxy-thiobenzamide Formula: C16H22ClN3O2S MolecularWeight: 355.88278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=S)NCC2(CN3CCC2CC3)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=S)NCC2(CN3CCC2CC3)O)Cl)N

InChI

InChI=1S/C16H22ClN3O2S/c1-22-14-7-13(18)12(17)6-11(14)15(23)19-8-16(21)9-20-4-2-10(16)3-5-20/h6-7,10,21H,2-5,8-9,18H2,1H3,(H,19,23)