| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C/C(=C\C=O)c1ccc(s1)c1ccc(cc1)N1CCC1 |
| InChI | InChI | 1.06 | InChI=1S/C17H17NOS/c1-13(9-12-19)16-7-8-17(20-16)14-3-5-15(6-4-14)18-10-2-11-18/h3-9,12H,2,10-11H2,1H3/b13-9+ |
| InChIKey | InChI | 1.06 | LCFKQKBRSZNNCT-UKTHLTGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(=C/C=O)c1sc(cc1)c2ccc(cc2)N3CCC3 |
| SMILES | CACTVS | 3.385 | CC(=CC=O)c1sc(cc1)c2ccc(cc2)N3CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C(=C\C=O)/c1ccc(s1)c2ccc(cc2)N3CCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CC=O)c1ccc(s1)c2ccc(cc2)N3CCC3 |
