Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H23N3O3S/c1-22(2,28-18-9-7-17(27-3)8-10-18)21(26)25-16-6-4-5-14(11-16)15-12-19(20(23)24)29-13-15/h4-13H,1-3H3,(H3,23,24)(H,25,26) |
InChIKey | InChI | 1.06 | ZQLNPUVERWATSL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3ccc(cc3)OC)/N |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)OC |