| SpectraBase Spectrum ID |
5RowzZJ6RsS |
| Name |
2-(Acetylamino0-4-[N-(4"-bromophenyl)thiocarbamoylthio]butyric acid |
| Alternate Name(s) |
2-(Acetylamino)-4-[N-(4''-bromophenyl)thiocarbamoylthio]butyric acid
2-acetamido-4-[[(4-bromoanilino)-sulfanylidenemethyl]thio]butanoic acid
2-acetamido-4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15BrN2O3S2 |
| InChI |
InChI=1S/C13H15BrN2O3S2/c1-8(17)15-11(12(18)19)6-7-21-13(20)16-10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19) |
| InChIKey |
UPURBWBVIOFXIN-UHFFFAOYSA-N |
| Molecular Weight |
391.298 g/mol |
| SMILES |
N(C(SCCC(C(=O)O)NC(=O)C)=S)c1ccc(Br)cc1 |
| SPLASH |
splash10-02t9-0090000000-14e501f5030676666bed |
| Source of Spectrum |
Y-36-1173-3 |
| Wiley ID |
762435 |
![R,S-2-ACETYLAMINO-4-[N-(4-BROMOPHENYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID](/api/spectrum/5RowzZJ6RsS/structure.png?h=300&w=458 "R,S-2-ACETYLAMINO-4-[N-(4-BROMOPHENYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID")
