2-fluoranyl-N-[4-[[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[3-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[3-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[3-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]benzamide Formula: C26H24F4N4OS MolecularWeight: 516.553573

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H24F4N4OS/c27-23-7-3-2-6-22(23)24(35)31-18-8-10-19(11-9-18)32-25(36)33-20-14-17(26(28,29)30)15-21(16-20)34-12-4-1-5-13-34/h2-3,6-11,14-16H,1,4-5,12-13H2,(H,31,35)(H2,32,33,36)