2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID

CAS No.
530155-97-6
CCD No.
CCD00396942
Formula
C20 H21 I N2 O4 S
MolWeight
512.362

Basic Information

Product Name: 2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
CAS: 530155-97-6
English Synonyms: BENZOIC ACID, 2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO- ; 2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
MDL Number.: MFCD03571427
H bond acceptor: 6
H bond donor: 3
Smile: CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
InChi: InChI=1S/C20H21IN2O4S/c1-20(2,3)12-4-7-14(8-5-12)27-11-17(24)23-19(28)22-16-9-6-13(21)10-15(16)18(25)26/h4-10H,11H2,1-3H3,(H,25,26)(H2,22,23,24,28)
InChiKey: InChIKey=BKUBZZHOTBHALX-UHFFFAOYSA-N

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