| SpectraBase Spectrum ID |
8anRQSA3IQy |
| Name |
2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-phenyl-1-piperazinecarbodithioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.099847071 u |
| Formula |
C26H24ClN3O2S2 |
| InChI |
InChI=1S/C26H24ClN3O2S2/c27-20-11-12-23(22(17-20)25(32)19-7-3-1-4-8-19)28-24(31)18-34-26(33)30-15-13-29(14-16-30)21-9-5-2-6-10-21/h1-12,17H,13-16,18H2,(H,28,31) |
| InChIKey |
WNZPSSXBXLGKRC-UHFFFAOYSA-N |
| Molecular Weight |
510.070 g/mol |
| SMILES |
N(C1=C(C(=O)C2=CC=CC=C2)C=C(C=C1)Cl)C(=O)CSC(N1CCN(CC1)C1=CC=CC=C1)=S |
