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

Systemtic Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(1,5-dimethyl-4-pyrazolyl)methyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C21H26N8O2S2 MolecularWeight: 486.61354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N8O2S2/c1-16-17(14-24-27(16)2)15-28-10-12-29(13-11-28)21(32)25-18-4-6-19(7-5-18)33(30,31)26-20-22-8-3-9-23-20/h3-9,14H,10-13,15H2,1-2H3,(H,25,32)(H,22,23,26)