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

Systemtic Name: N-[[3-fluoranyl-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[3-fluoro-4-[4-(trifluoromethyl)-1-piperidyl]phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[3-fluoro-4-[4-(trifluoromethyl)-1-piperidinyl]anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[3-fluoro-4-[4-(trifluoromethyl)piperidino]phenyl]thiocarbamoyl]nicotinamide Formula: C19H18F4N4OS MolecularWeight: 426.431033

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(F)(F)F)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3)F

Isomeric SMILES

C1CN(CCC1C(F)(F)F)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3)F

InChI

InChI=1S/C19H18F4N4OS/c20-15-10-14(25-18(29)26-17(28)12-2-1-7-24-11-12)3-4-16(15)27-8-5-13(6-9-27)19(21,22)23/h1-4,7,10-11,13H,5-6,8-9H2,(H2,25,26,28,29)