| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sccc1)CCC(=O)NC(c2cccnc2)C |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O2S/c1-11(12-4-2-8-16-10-12)17-15(19)7-6-13(18)14-5-3-9-20-14/h2-5,8-11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | VFHVMIRVNCDBFW-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)CCC(=O)c1sccc1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)CCC(=O)c1sccc1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(c1cccnc1)NC(=O)CCC(=O)c2cccs2 |
