N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(tert-butylcarbamoylamino)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(tert-butylcarbamoylamino)-1-benzothiophene-2-carboxamide Openeye Name: 6-(tert-butylcarbamoylamino)-N-[(3R)-quinuclidin-3-yl]benzothiophene-2-carboxamide CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[[(tert-butylamino)-oxomethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(tert-butylcarbamoylamino)-1-benzothiophene-2-carboxamide Traditional Name: 6-(tert-butylcarbamoylamino)-N-[(3R)-quinuclidin-3-yl]benzothiophene-2-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)C=C(S2)C(=O)NC3CN4CCC3CC4

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)C=C(S2)C(=O)N[C@H]3CN4CCC3CC4

InChI

InChI=1S/C21H28N4O2S/c1-21(2,3)24-20(27)22-15-5-4-14-10-18(28-17(14)11-15)19(26)23-16-12-25-8-6-13(16)7-9-25/h4-5,10-11,13,16H,6-9,12H2,1-3H3,(H,23,26)(H2,22,24,27)/t16-/m0/s1