| SpectraBase Spectrum ID |
8s3H8wzCKco |
| Name |
2-(4-(3-(2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)thioureido)benzamido)acetic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H19F3N4O4S |
| InChI |
InChI=1S/C24H19F3N4O4S/c25-24(26,27)15-4-3-5-17(12-15)29-22(35)18-6-1-2-7-19(18)31-23(36)30-16-10-8-14(9-11-16)21(34)28-13-20(32)33/h1-12H,13H2,(H,28,34)(H,29,35)(H,32,33)(H2,30,31,36) |
| InChIKey |
QBKUIKNORDJGAM-UHFFFAOYSA-N |
| Molecular Weight |
516.495 g/mol |
| SMILES |
N(C(Nc1ccc(C(NCC(=O)O)=O)cc1)=S)c1c(C(Nc2cc(C(F)(F)F)ccc2)=O)cccc1 |
| SPLASH |
splash10-0i00-1090520000-056e8be996160d4ad53c |
| Source of Spectrum |
EMC-64-118-6a |
| Synonyms |
2-(4-(3-(2-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)thioureido)benzamido)acetic acid
2-[[oxo-[4-[[[2-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]amino]phenyl]methyl]amino]acetic acid
2-[[4-[[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioylamino]benzoyl]amino]acetic acid
2-[[4-[[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioylamino]phenyl]carbonylamino]ethanoic acid |
| Wiley ID |
1735543 |
