2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,8-naphthyridine-3-carboxamide

Systemtic Name: 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,8-naphthyridine-3-carboxamide Openeye Name: 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,8-naphthyridine-3-carboxamide CAS Name: 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1,8-naphthyridine-3-carboxamide IUPAC Name: 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,8-naphthyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-methyl-1,8-naphthyridine-3-carboxamide Formula: C23H23F3N4O2S MolecularWeight: 476.51453

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=C3C(=C2)C=CC=N3)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=C3C(=C2)C=CC=N3)C)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O2S/c1-3-4-5-11-32-19-9-8-16(13-18(19)23(24,25)26)29-22(33)30-21(31)17-12-15-7-6-10-27-20(15)28-14(17)2/h6-10,12-13H,3-5,11H2,1-2H3,(H2,29,30,31,33)