5-BROMO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
535976-91-1
pro_cdbregno
CCD00397112
pro_formula
C20 H15 Br N2 O4 S
pro_molWeight
459.319

basic_info

Product_Name: 5-BROMO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535976-91-1
EnglishSynonyms: BENZOIC ACID, 5-BROMO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-BROMO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_mdlNumber: MFCD03573018
pro_acceptors: 6
pro_donors: 3
pro_smile: COc1cc2ccccc2cc1C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br
InChi: InChI=1S/C20H15BrN2O4S/c1-27-17-9-12-5-3-2-4-11(12)8-15(17)18(24)23-20(28)22-16-7-6-13(21)10-14(16)19(25)26/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)
InChiKey: InChIKey=FHWUIHFMQTWRQL-UHFFFAOYSA-N

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