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

Systemtic Name: 2-oxidanylidene-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]carbamothioyl]-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-N-[[4-(1-piperidyl)-3-(trifluoromethyl)phenyl]carbamothioyl]-1H-pyridine-3-carboxamide CAS Name: 2-oxo-N-[[4-(1-piperidinyl)-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]carbamothioyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[[4-piperidino-3-(trifluoromethyl)phenyl]thiocarbamoyl]-1H-pyridine-3-carboxamide Formula: C19H19F3N4O2S MolecularWeight: 424.43997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CNC3=O)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CNC3=O)C(F)(F)F

InChI

InChI=1S/C19H19F3N4O2S/c20-19(21,22)14-11-12(6-7-15(14)26-9-2-1-3-10-26)24-18(29)25-17(28)13-5-4-8-23-16(13)27/h4-8,11H,1-3,9-10H2,(H,23,27)(H2,24,25,28,29)