| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CC(C3)(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@H]2c3cccc(O)c3 |
| SMILES | CACTVS | 3.352 | CC1(C)CC(=O)C2=C(C1)NC(=S)N[CH]2c3cccc(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1(CC2=C(C(NC(=S)N2)c3cccc(c3)O)C(=O)C1)C |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,14,19H,7-8H2,1-2H3,(H2,17,18,21)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | RUOOPLOUUAYNPY-AWEZNQCLSA-N |
