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8JS

Summary
Name:4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
Formula:C13 H12 F N3 O2 S2
Formal charge:0
Formula weight:325.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
OpenEye OEToolkits2.0.61-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiourea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(ccc1NC(Nc2ccc(cc2)S(N)(=O)=O)=S)F
InChIInChI1.03InChI=1S/C13H12FN3O2S2/c14-9-1-3-10(4-2-9)16-13(20)17-11-5-7-12(8-6-11)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)
InChIKeyInChI1.03VUDOFEJVAFMLEC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F

219140

PDB entries from 2024-05-01

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