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MPX

Summary
Name:4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE
Formula:C12 H19 N5 O2 S2
Formal charge:0
Formula weight:329.442 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}benzenesulfonamide
OpenEye OEToolkits1.5.03-(4-methylpiperazin-1-yl)-1-(4-sulfamoylphenyl)thiourea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04S=C(NN1CCN(CC1)C)Nc2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341CN1CCN(CC1)NC(=S)Nc2ccc(cc2)[S](N)(=O)=O
SMILESCACTVS3.341CN1CCN(CC1)NC(=S)Nc2ccc(cc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C12H19N5O2S2/c1-16-6-8-17(9-7-16)15-12(20)14-10-2-4-11(5-3-10)21(13,18)19/h2-5H,6-9H2,1H3,(H2,13,18,19)(H2,14,15,20)
InChIKeyInChI1.03BPPLIZHQOIGRPZ-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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