4-(4-ethanoylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C23H24N6O3S2 MolecularWeight: 496.60506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C23H24N6O3S2/c1-17(30)18-3-7-20(8-4-18)28-13-15-29(16-14-28)23(33)26-19-5-9-21(10-6-19)34(31,32)27-22-24-11-2-12-25-22/h2-12H,13-16H2,1H3,(H,26,33)(H,24,25,27)