| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C=1CCCC=1c1ccc2nc(NCC)sc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C15H16N2O2S/c1-2-16-15-17-12-7-6-9(8-13(12)20-15)10-4-3-5-11(10)14(18)19/h6-8H,2-5H2,1H3,(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.06 | AHTJPSMHHPKLRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O |
| SMILES | CACTVS | 3.385 | CCNc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCNc1nc2ccc(cc2s1)C3=C(CCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCNc1nc2ccc(cc2s1)C3=C(CCC3)C(=O)O |
