N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[4-(2-pyrimidinylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-[4-(2-pyrimidylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C22H21F3N6O2S2 MolecularWeight: 522.56635

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C22H21F3N6O2S2/c23-22(24,25)16-3-1-4-18(15-16)30-11-13-31(14-12-30)21(34)28-17-5-7-19(8-6-17)35(32,33)29-20-26-9-2-10-27-20/h1-10,15H,11-14H2,(H,28,34)(H,26,27,29)