| SpectraBase Spectrum ID |
CDAFveb576i |
| Name |
2-(4-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1Hpyrazol-4-yl)thioureido)benzamido)acetic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21N5O4S |
| InChI |
InChI=1S/C21H21N5O4S/c1-13-18(20(30)26(25(13)2)16-6-4-3-5-7-16)24-21(31)23-15-10-8-14(9-11-15)19(29)22-12-17(27)28/h3-11H,12H2,1-2H3,(H,22,29)(H,27,28)(H2,23,24,31) |
| InChIKey |
MNCKXWXPZRJWGW-UHFFFAOYSA-N |
| Molecular Weight |
439.490 g/mol |
| SMILES |
N(C=1C(N(c2ccccc2)N(C1C)C)=O)C(Nc1ccc(C(NCC(=O)O)=O)cc1)=S |
| SPLASH |
splash10-074i-3900000000-3a22f2d23153610cbd0a |
| Source of Spectrum |
EMC-64-119-9 |
| Synonyms |
2-(4-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thioureido)benzamido)acetic acid
2-[[[4-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid
2-[[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoyl]amino]acetic acid
2-[[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]benzoyl]amino]acetic acid
2-[[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl]carbonylamino]ethanoic acid |
| Wiley ID |
1735539 |
