3-([(BIPHENYL-4-YLCARBONYL)CARBAMOTHIOYL]AMINO)-4-CHLOROBENZOIC ACID

pro_cas
531520-40-8
pro_cdbregno
CCD00396295
pro_formula
C21 H15 Cl N2 O3 S
pro_molWeight
410.879

basic_info

Product_Name: 3-([(BIPHENYL-4-YLCARBONYL)CARBAMOTHIOYL]AMINO)-4-CHLOROBENZOIC ACID
CAS: 531520-40-8
EnglishSynonyms: BENZOIC ACID, 3-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO- ; 3-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID ; ZERENEX E/8014815 ; 3-([(BIPHENYL-4-YLCARBONYL)CARBAMOTHIOYL]AMINO)-4-CHLOROBENZOIC ACID ; 3-[3-(BIPHENYL-4-CARBONYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
pro_mdlNumber: MFCD03565814
pro_acceptors: 5
pro_donors: 3
pro_smile: c1ccc(cc1)c2ccc(cc2)C(=O)NC(=S)Nc3cc(ccc3Cl)C(=O)O
InChi: InChI=1S/C21H15ClN2O3S/c22-17-11-10-16(20(26)27)12-18(17)23-21(28)24-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,26,27)(H2,23,24,25,28)
InChiKey: InChIKey=IFNFHFUCKZBJSV-UHFFFAOYSA-N

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