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

Systemtic Name: 4-[[4-chloranyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide Openeye Name: 4-[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide CAS Name: 4-[[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-ethoxybenzamide IUPAC Name: 4-[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-ethoxybenzamide Traditional Name: 4-[[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyrimidin-2-yl]thio]methyl]-N-ethoxy-benzamide Formula: C25H25ClF3N5O2S MolecularWeight: 552.01151

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCONC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H25ClF3N5O2S/c1-2-36-32-23(35)18-8-6-17(7-9-18)16-37-24-30-21(26)15-22(31-24)34-12-10-33(11-13-34)20-5-3-4-19(14-20)25(27,28)29/h3-9,14-15H,2,10-13,16H2,1H3,(H,32,35)