A1EZL
Summary
| Name: | (4R)-2-[[2-(cyclobutylmethoxy)-3-phenyl-phenyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol |
| Formula: | C24 H26 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 406.54 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-2-[[2-(cyclobutylmethoxy)-3-phenyl-phenyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H26N2O2S/c27-20-13-6-14-21-22(20)26-24(29-21)25-19-12-5-11-18(17-9-2-1-3-10-17)23(19)28-15-16-7-4-8-16/h1-3,5,9-12,16,20,27H,4,6-8,13-15H2,(H,25,26)/t20-/m1/s1 |
| InChIKey | InChI | 1.06 | JSQRBHZDLZMVPL-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCc2sc(Nc3cccc(c3OCC4CCC4)c5ccccc5)nc12 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCc2sc(Nc3cccc(c3OCC4CCC4)c5ccccc5)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cccc(c2OCC3CCC3)Nc4nc5c(s4)CCC[C@H]5O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cccc(c2OCC3CCC3)Nc4nc5c(s4)CCCC5O |
