8ZN
Summary
| Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide |
| Formula: | C24 H23 Cl F3 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 537.985 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H23ClF3N5O2S/c1-13-3-2-4-18(25)20(13)33-22(35)19-12-30-23(36-19)32-17-10-14(9-15(11-17)24(26,27)28)21(34)31-16-5-7-29-8-6-16/h2-4,9-12,16,29H,5-8H2,1H3,(H,30,32)(H,31,34)(H,33,35) |
| InChIKey | InChI | 1.03 | AMLFZMSYVMSKCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)nc2 |
| SMILES | CACTVS | 3.385 | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl |
