N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-[(6-pentoxy-3-pyridyl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide CAS Name: N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-2-phenyl-5-(trifluoromethyl)-4-oxazolecarboxamide IUPAC Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide Formula: C22H21F3N4O3S MolecularWeight: 478.48735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O3S/c1-2-3-7-12-31-16-11-10-15(13-26-16)27-21(33)29-19(30)17-18(22(23,24)25)32-20(28-17)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12H2,1H3,(H2,27,29,30,33)