4-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(3,4-dichlorophenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorophenyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C21H20Cl2N6O2S2 MolecularWeight: 523.4585

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H20Cl2N6O2S2/c22-18-7-4-16(14-19(18)23)28-10-12-29(13-11-28)21(32)26-15-2-5-17(6-3-15)33(30,31)27-20-24-8-1-9-25-20/h1-9,14H,10-13H2,(H,26,32)(H,24,25,27)