4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C22H29N8O2S2+ MolecularWeight: 501.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C

InChI

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