4-[[4-chloranyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 4-[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 4-[[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 4-[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 4-[[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyrimidin-2-yl]thio]methyl]-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C31H26ClF6N5OS MolecularWeight: 666.079459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)C(F)(F)F)Cl

InChI

InChI=1S/C31H26ClF6N5OS/c32-26-17-27(43-13-11-42(12-14-43)25-6-2-5-24(16-25)31(36,37)38)41-29(40-26)45-19-20-7-9-22(10-8-20)28(44)39-18-21-3-1-4-23(15-21)30(33,34)35/h1-10,15-17H,11-14,18-19H2,(H,39,44)