4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C22H28N8O2S2 MolecularWeight: 500.64012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C22H28N8O2S2/c1-3-30-16-18(17(2)26-30)15-28-11-13-29(14-12-28)22(33)25-19-5-7-20(8-6-19)34(31,32)27-21-23-9-4-10-24-21/h4-10,16H,3,11-15H2,1-2H3,(H,25,33)(H,23,24,27)