4-pyridin-2-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-pyridin-2-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2-pyridyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2-pyridinyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-pyridin-2-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2-pyridyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C20H21N7O2S2 MolecularWeight: 455.55644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H21N7O2S2/c28-31(29,25-19-22-10-3-11-23-19)17-7-5-16(6-8-17)24-20(30)27-14-12-26(13-15-27)18-4-1-2-9-21-18/h1-11H,12-15H2,(H,24,30)(H,22,23,25)