T5N
Summary
| Name: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
| Formula: | C12 H16 Br N O2 S |
| Formal charge: | 0 |
| Formula weight: | 318.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | KYRLGFWGXVFTSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS |
| SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br |
