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

Systemtic Name: 4-(4-nitrophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C21H21N7O4S2 MolecularWeight: 499.56594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H21N7O4S2/c29-28(30)18-6-4-17(5-7-18)26-12-14-27(15-13-26)21(33)24-16-2-8-19(9-3-16)34(31,32)25-20-22-10-1-11-23-20/h1-11H,12-15H2,(H,24,33)(H,22,23,25)