A1EKJ
Summary
| Name: | ~{N}-(4-~{tert}-butyl-1,3-thiazol-2-yl)-3-fluoranyl-benzamide |
| Formula: | C14 H15 F N2 O S |
| Formal charge: | 0 |
| Formula weight: | 278.345 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-~{tert}-butyl-1,3-thiazol-2-yl)-3-fluoranyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15FN2OS/c1-14(2,3)11-8-19-13(16-11)17-12(18)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H,16,17,18) |
| InChIKey | InChI | 1.06 | YTTAGQBQBWNSSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1csc(NC(=O)c2cccc(F)c2)n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1csc(NC(=O)c2cccc(F)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1csc(n1)NC(=O)c2cccc(c2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1csc(n1)NC(=O)c2cccc(c2)F |
