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

Systemtic Name: 2-fluoranyl-N-[4-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[4-(1-piperidyl)-3-(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[[4-(1-piperidinyl)-3-(trifluoromethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[4-piperidino-3-(trifluoromethyl)benzyl]thiocarbamoylamino]phenyl]benzamide Formula: C27H26F4N4OS MolecularWeight: 530.580153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26F4N4OS/c28-23-7-3-2-6-21(23)25(36)33-19-9-11-20(12-10-19)34-26(37)32-17-18-8-13-24(22(16-18)27(29,30)31)35-14-4-1-5-15-35/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,33,36)(H2,32,34,37)