N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-imidazol-1-yl-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-imidazol-1-yl-1,2-benzothiazole-3-carboxamide Openeye Name: 6-imidazol-1-yl-N-[(3S)-quinuclidin-3-yl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(1-imidazolyl)-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-imidazol-1-yl-1,2-benzothiazole-3-carboxamide Traditional Name: 6-imidazol-1-yl-N-[(3S)-quinuclidin-3-yl]-1,2-benzothiazole-3-carboxamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=NSC4=C3C=CC(=C4)N5C=CN=C5

Isomeric SMILES

C1CN2CCC1[C@@H](C2)NC(=O)C3=NSC4=C3C=CC(=C4)N5C=CN=C5

InChI

InChI=1S/C18H19N5OS/c24-18(20-15-10-22-6-3-12(15)4-7-22)17-14-2-1-13(9-16(14)25-21-17)23-8-5-19-11-23/h1-2,5,8-9,11-12,15H,3-4,6-7,10H2,(H,20,24)/t15-/m1/s1