P5W
Summary
| Name: | 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid |
| Formula: | C16 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 296.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | UGLHSEDBIJMFOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Nc2scc(n2)c3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Nc2scc(n2)c3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O |
