SpectraBase Spectrum ID |
HonbecASQvm |
Name |
2,4-Thiazolidinedione, 3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-5-(2-thienylmethylene)-, (5E)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
443.097348512 u |
Formula |
C21H21N3O4S2 |
InChI |
InChI=1S/C21H21N3O4S2/c1-28-16-6-4-15(5-7-16)22-8-10-23(11-9-22)19(25)14-24-20(26)18(30-21(24)27)13-17-3-2-12-29-17/h2-7,12-13H,8-11,14H2,1H3/b18-13+ |
InChIKey |
UTAOZEHSHRMUHO-QGOAFFKASA-N |
Molecular Weight |
443.536 g/mol |
SMILES |
COC=1C=CC(N2CCN(C(CN3C(S\C(C3=O)=C/C=3SC=CC3)=O)=O)CC2)=CC1 |