4-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS No.
532404-38-9
CCD No.
CCD00396492
Formula
C20 H22 N2 O4 S
MolWeight
386.47

Basic Information

Product Name: 4-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532404-38-9
English Synonyms: BENZOIC ACID, 4-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 4-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL Number.: MFCD03567612
H bond acceptor: 6
H bond donor: 3
Smile: CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2ccc(cc2)C(=O)O
InChi: InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-10-16(11-7-14)26-12-17(23)22-19(27)21-15-8-4-13(5-9-15)18(24)25/h4-11H,12H2,1-3H3,(H,24,25)(H2,21,22,23,27)
InChiKey: InChIKey=HPZVPKWSKYSIBD-UHFFFAOYSA-N

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