8ZK
Summary
| Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide |
| Formula: | C25 H28 Cl N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 498.04 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H28ClN5O2S/c1-3-16-11-17(23(32)29-18-7-9-27-10-8-18)13-19(12-16)30-25-28-14-21(34-25)24(33)31-22-15(2)5-4-6-20(22)26/h4-6,11-14,18,27H,3,7-10H2,1-2H3,(H,28,30)(H,29,32)(H,31,33) |
| InChIKey | InChI | 1.03 | AVCRYIXULVHLPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(c1)C(=O)NC4CCNCC4 |
| SMILES | CACTVS | 3.385 | CCc1cc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(c1)C(=O)NC4CCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4 |
