Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O3S/c1-23-16-9-13(10-17(24-2)18(16)25-3)15-11-14(21-22(15)19(20)26)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H2,20,26) |
InChIKey | InChI | 1.03 | GONIBFCARADPAC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)[C@@H]2CC(=NN2C(N)=S)c3ccccc3 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)[CH]2CC(=NN2C(N)=S)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3 |