4-(4-fluorophenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C21H21FN6O4S3 MolecularWeight: 536.622643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN6O4S3/c22-16-2-6-19(7-3-16)35(31,32)28-14-12-27(13-15-28)21(33)25-17-4-8-18(9-5-17)34(29,30)26-20-23-10-1-11-24-20/h1-11H,12-15H2,(H,25,33)(H,23,24,26)