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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C22H23ClN6O2S2 MolecularWeight: 503.04002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C22H23ClN6O2S2/c23-18-4-1-3-17(15-18)16-28-11-13-29(14-12-28)22(32)26-19-5-7-20(8-6-19)33(30,31)27-21-24-9-2-10-25-21/h1-10,15H,11-14,16H2,(H,26,32)(H,24,25,27)