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

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(cyclohexylcarbamoylamino)-1-benzothiophene-2-carboxamide Openeye Name: 6-(cyclohexylcarbamoylamino)-N-[(3R)-quinuclidin-3-yl]benzothiophene-2-carboxamide CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[[(cyclohexylamino)-oxomethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(cyclohexylcarbamoylamino)-1-benzothiophene-2-carboxamide Traditional Name: 6-(cyclohexylcarbamoylamino)-N-[(3R)-quinuclidin-3-yl]benzothiophene-2-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)C=C(S3)C(=O)NC4CN5CCC4CC5

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)C=C(S3)C(=O)N[C@H]4CN5CCC4CC5

InChI

InChI=1S/C23H30N4O2S/c28-22(26-19-14-27-10-8-15(19)9-11-27)21-12-16-6-7-18(13-20(16)30-21)25-23(29)24-17-4-2-1-3-5-17/h6-7,12-13,15,17,19H,1-5,8-11,14H2,(H,26,28)(H2,24,25,29)/t19-/m0/s1