N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(1-piperidyl)-3-(trifluoromethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(1-piperidinyl)-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-piperidino-3-(trifluoromethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C22H20F3N3O2S MolecularWeight: 447.47331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c23-22(24,25)16-13-15(8-9-17(16)28-10-4-1-5-11-28)26-21(31)27-20(29)19-12-14-6-2-3-7-18(14)30-19/h2-3,6-9,12-13H,1,4-5,10-11H2,(H2,26,27,29,31)