3-((((1-(ACRYLOYLAMINO)2,2,2-TRICHLOROETHYL)AMINO)CARBOTHIOYL)AMINO)BENZOIC ACID

pro_cas
pro_cdbregno
CCD00292892
pro_formula
C13 H12 Cl3 N3 O3 S
pro_molWeight
396.681

basic_info

Product_Name: 3-((((1-(ACRYLOYLAMINO)2,2,2-TRICHLOROETHYL)AMINO)CARBOTHIOYL)AMINO)BENZOIC ACID
EnglishSynonyms: 3-((((1-(ACRYLOYLAMINO)2,2,2-TRICHLOROETHYL)AMINO)CARBOTHIOYL)AMINO)BENZOIC ACID
pro_mdlNumber: MFCD02167251
pro_acceptors: 6
pro_donors: 4
pro_smile: C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1cccc(c1)C(=O)O
InChi: InChI=1S/C13H12Cl3N3O3S/c1-2-9(20)18-11(13(14,15)16)19-12(23)17-8-5-3-4-7(6-8)10(21)22/h2-6,11H,1H2,(H,18,20)(H,21,22)(H2,17,19,23)
InChiKey: InChIKey=PQSKRDCYDLWOAX-UHFFFAOYSA-N

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