N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2-phenyl-5-(trifluoromethyl)-4-oxazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide Formula: C23H21F4N3O3S MolecularWeight: 495.489753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F4N3O3S/c1-2-3-7-12-32-17-11-10-15(13-16(17)24)28-22(34)30-20(31)18-19(23(25,26)27)33-21(29-18)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12H2,1H3,(H2,28,30,31,34)