4-cyclohexyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-cyclohexyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-cyclohexyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-cyclohexyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-cyclohexyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-cyclohexyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C21H29N6O2S2+ MolecularWeight: 461.62396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H28N6O2S2/c28-31(29,25-20-22-11-4-12-23-20)19-9-7-17(8-10-19)24-21(30)27-15-13-26(14-16-27)18-5-2-1-3-6-18/h4,7-12,18H,1-3,5-6,13-16H2,(H,24,30)(H,22,23,25)/p+1