| SpectraBase Spectrum ID |
Alo3cvDHP5v |
| Name |
N-(5-Isobutyl-1,3,4-thiadiazol-2-yl)-4-{4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl}-4-oxobutanamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.230411114 u |
| Formula |
C23H33N5O3S |
| InChI |
InChI=1S/C23H33N5O3S/c1-17(2)16-21-25-26-23(32-21)24-20(29)8-9-22(30)28-12-10-27(11-13-28)14-15-31-19-6-4-18(3)5-7-19/h4-7,17H,8-16H2,1-3H3,(H,24,26,29) |
| InChIKey |
KFLFICIWAFVLSI-UHFFFAOYSA-N |
| Molecular Weight |
459.609 g/mol |
| SMILES |
N(C=1SC(CC(C)C)=NN1)C(=O)CCC(N1CCN(CC1)CCOC1=CC=C(C=C1)C)=O |
![N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-{4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl}-4-oxobutanamide](/api/spectrum/Alo3cvDHP5v/structure.png?h=300&w=458 "N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-{4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl}-4-oxobutanamide")
