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

Systemtic Name: 2-(hydroxymethyl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(hydroxymethyl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(hydroxymethyl)-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(hydroxymethyl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-methylol-nicotinamide Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3O3S/c1-2-3-4-10-29-17-8-7-13(11-15(17)20(21,22)23)25-19(30)26-18(28)14-6-5-9-24-16(14)12-27/h5-9,11,27H,2-4,10,12H2,1H3,(H2,25,26,28,30)