| SpectraBase Spectrum ID |
1DqQl4OVH80 |
| Name |
2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-methyl-1-piperazinecarbodithioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.084197006 u |
| Formula |
C21H22ClN3O2S2 |
| InChI |
InChI=1S/C21H22ClN3O2S2/c1-24-9-11-25(12-10-24)21(28)29-14-19(26)23-18-8-7-16(22)13-17(18)20(27)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,23,26) |
| InChIKey |
FFIIZXTWAHLAAR-UHFFFAOYSA-N |
| Molecular Weight |
447.999 g/mol |
| SMILES |
N(C1=C(C(=O)C=2C=CC=CC2)C=C(C=C1)Cl)C(=O)CSC(N1CCN(CC1)C)=S |
