Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C26H33N3O3S/c1-8-29(26(4,5)6)25(30)24-27-22(21-10-9-13-33-21)23-18-15-20(32-16(2)3)19(31-7)14-17(18)11-12-28(23)24/h9-10,13-16H,8,11-12H2,1-7H3 |
InChIKey | InChI | 1.06 | DNSWBPOFBBWYJX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(C(=O)c1nc(c2sccc2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C |
SMILES | CACTVS | 3.385 | CCN(C(=O)c1nc(c2sccc2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(C(=O)c1nc(c-2n1CCc3c2cc(c(c3)OC)OC(C)C)c4cccs4)C(C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(C(=O)c1nc(c-2n1CCc3c2cc(c(c3)OC)OC(C)C)c4cccs4)C(C)(C)C |