9Y2
Summary
| Name: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide |
| Formula: | C16 H17 F2 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 353.387 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17F2N3O2S/c1-16(2,3)8-12(22)20-13-10(17)6-9(7-11(13)18)14(23)21-15-19-4-5-24-15/h4-7H,8H2,1-3H3,(H,20,22)(H,19,21,23) |
| InChIKey | InChI | 1.03 | KEUJAGGJGBWRFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc2sccn2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc2sccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F |
