2-(dimethylaminomethyl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-(dimethylaminomethyl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(dimethylaminomethyl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(dimethylaminomethyl)-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(dimethylaminomethyl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-(dimethylaminomethyl)nicotinamide Formula: C22H27F3N4O2S MolecularWeight: 468.53559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)CN(C)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)CN(C)C)C(F)(F)F

InChI

InChI=1S/C22H27F3N4O2S/c1-4-5-6-12-31-19-10-9-15(13-17(19)22(23,24)25)27-21(32)28-20(30)16-8-7-11-26-18(16)14-29(2)3/h7-11,13H,4-6,12,14H2,1-3H3,(H2,27,28,30,32)