N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-[4-(2-pyrimidinylsulfamoyl)phenyl]-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-[4-(2-pyrimidylsulfamoyl)phenyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C22H28N8O2S2 MolecularWeight: 500.64012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

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