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

Systemtic Name: 2-fluoranyl-N-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[3-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[3-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]benzamide Formula: C25H22F4N4OS MolecularWeight: 502.526993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H22F4N4OS/c26-22-6-2-1-5-21(22)23(34)30-17-7-9-18(10-8-17)31-24(35)32-19-13-16(25(27,28)29)14-20(15-19)33-11-3-4-12-33/h1-2,5-10,13-15H,3-4,11-12H2,(H,30,34)(H2,31,32,35)