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8JS

概要
表記:4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
組成式:C13 H12 F N3 O2 S2
電荷:0
化学式量:325.382 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.014-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
OpenEye OEToolkits2.0.61-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiourea

化合物記述子(線形表記)

種別プログラムバージョン表記
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

223532

件を2024-08-07に公開中

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