| SpectraBase Spectrum ID |
7wmQHWblKE9 |
| Name |
Methyl [4-({[4-(2-pyrimidinyl)-1-piperazinyl]carbothioyl}amino)phenyl]acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.141596108 u |
| Formula |
C18H21N5O2S |
| InChI |
InChI=1S/C18H21N5O2S/c1-25-16(24)13-14-3-5-15(6-4-14)21-18(26)23-11-9-22(10-12-23)17-19-7-2-8-20-17/h2-8H,9-13H2,1H3,(H,21,26) |
| InChIKey |
UHOMIYWEVOORHS-UHFFFAOYSA-N |
| Molecular Weight |
371.459 g/mol |
| SMILES |
N(C(N1CCN(C=2N=CC=CN2)CC1)=S)C=1C=CC(CC(=O)OC)=CC1 |
![Methyl [4-({[4-(2-pyrimidinyl)-1-piperazinyl]carbothioyl}amino)phenyl]acetate](/api/spectrum/7wmQHWblKE9/structure.png?h=300&w=458 "Methyl [4-({[4-(2-pyrimidinyl)-1-piperazinyl]carbothioyl}amino)phenyl]acetate")
