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

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-pyrrol-1-yl-1,2-benzothiazole-3-carboxamide Openeye Name: 6-pyrrol-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-pyrrolyl)-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-pyrrol-1-yl-1,2-benzothiazole-3-carboxamide Traditional Name: 6-pyrrol-1-yl-N-[(3S)-quinuclidin-3-yl]-1,2-benzothiazole-3-carboxamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c24-19(20-16-12-22-9-5-13(16)6-10-22)18-15-4-3-14(11-17(15)25-21-18)23-7-1-2-8-23/h1-4,7-8,11,13,16H,5-6,9-10,12H2,(H,20,24)/t16-/m1/s1