2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
536979-03-0
pro_cdbregno
CCD00397166
pro_formula
C21 H24 N2 O4 S
pro_molWeight
400.497

basic_info

Product_Name: 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 536979-03-0
EnglishSynonyms: BENZOIC ACID, 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- ; 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_mdlNumber: MFCD03573482
pro_acceptors: 6
pro_donors: 3
pro_smile: CCCCCCOc1ccc(cc1)C(=O)NC(=S)Nc2ccccc2C(=O)O
InChi: InChI=1S/C21H24N2O4S/c1-2-3-4-7-14-27-16-12-10-15(11-13-16)19(24)23-21(28)22-18-9-6-5-8-17(18)20(25)26/h5-6,8-13H,2-4,7,14H2,1H3,(H,25,26)(H2,22,23,24,28)
InChiKey: InChIKey=ODNFKZGAPNSCNW-UHFFFAOYSA-N

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