A1LYC
Summary
| Name: | (2~{S})-2-(4-chlorophenyl)-3-methyl-~{N}-(1,3-thiazol-2-yl)butanamide |
| Formula: | C14 H15 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 294.8 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(4-chlorophenyl)-3-methyl-~{N}-(1,3-thiazol-2-yl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | AZYDQCGCBQYFSE-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](C(=O)Nc1sccn1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](C(=O)Nc1sccn1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)Nc2nccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(c1ccc(cc1)Cl)C(=O)Nc2nccs2 |
