2-oxidanylidene-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1H-pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1H-pyridine-3-carboxamide CAS Name: 2-oxo-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1H-pyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-keto-1H-pyridine-3-carboxamide Formula: C19H20F3N3O3S MolecularWeight: 427.44061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CNC2=O)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CNC2=O)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3S/c1-2-3-4-10-28-15-8-7-12(11-14(15)19(20,21)22)24-18(29)25-17(27)13-6-5-9-23-16(13)26/h5-9,11H,2-4,10H2,1H3,(H,23,26)(H2,24,25,27,29)