N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-prop-1-ynyl-1-benzothiophene-6-carboxamide

Systemtic Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-prop-1-ynyl-1-benzothiophene-6-carboxamide Openeye Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-prop-1-ynyl-benzothiophene-6-carboxamide CAS Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-prop-1-ynyl-1-benzothiophene-6-carboxamide IUPAC Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-prop-1-ynyl-1-benzothiophene-6-carboxamide Traditional Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-prop-1-ynyl-benzothiophene-6-carboxamide Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC2=C(S1)C=C(C=C2)C(=O)NC3CC4CCC3N4

Isomeric SMILES

CC#CC1=CC2=C(S1)C=C(C=C2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4

InChI

InChI=1S/C18H18N2OS/c1-2-3-14-8-11-4-5-12(9-17(11)22-14)18(21)20-16-10-13-6-7-15(16)19-13/h4-5,8-9,13,15-16,19H,6-7,10H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1