| SpectraBase Spectrum ID |
3mUCMBIgRgd |
| Name |
Butanoic acid, 4-(methylthio)-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester, (2S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.170119532 u |
| Formula |
C22H29N3O2S2 |
| InChI |
InChI=1S/C22H29N3O2S2/c1-27-21(26)20(10-15-29-2)23-22(28)25-13-11-24(12-14-25)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,20H,10-16H2,1-2H3,(H,23,28) |
| InChIKey |
JXGBOUXFAHXKSB-UHFFFAOYSA-N |
| Molecular Weight |
431.613 g/mol |
| SMILES |
N(C(N1CCN(CC1)CC=1C=2C(=CC=CC2)C=CC1)=S)C(C(=O)OC)CCSC |
![butanoic acid, 4-(methylthio)-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester, (2S)-](/api/spectrum/3mUCMBIgRgd/structure.png?h=300&w=458 "butanoic acid, 4-(methylthio)-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester, (2S)-")
