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

Systemtic Name: 3-oxidanyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-2H-pyridine-3-carboxamide Openeye Name: 3-hydroxy-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-2H-pyridine-3-carboxamide CAS Name: 3-hydroxy-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2H-pyridine-3-carboxamide IUPAC Name: 3-hydroxy-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-2H-pyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-3-hydroxy-2H-pyridine-3-carboxamide Formula: C19H22F3N3O3S MolecularWeight: 429.45649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3N3O3S/c1-2-3-4-10-28-15-7-6-13(11-14(15)19(20,21)22)24-17(29)25-16(26)18(27)8-5-9-23-12-18/h5-9,11,27H,2-4,10,12H2,1H3,(H2,24,25,26,29)