| SpectraBase Spectrum ID |
2X4gtYo3F3 |
| Name |
3'-Chloro-4'-methylphthalanilic acid, compound with 2-benzyl-2-thiopseudourea(1:1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.107040451 u |
| Formula |
C23H22ClN3O3S |
| InChI |
InChI=1S/C15H12ClNO3.C8H10N2S/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20;9-8(10)11-6-7-4-2-1-3-5-7/h2-8H,1H3,(H,17,18)(H,19,20);1-5H,6H2,(H3,9,10) |
| InChIKey |
YIYSJMXMUXMZQT-UHFFFAOYSA-N |
| SMILES |
NC(SCC1=CC=CC=C1)=N.N(C1=CC(=C(C=C1)C)Cl)C(C1=CC=CC=C1C(O)=O)=O |
