| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N)C1CCN(C1)C(=O)Cc1cc(Br)ccc1SC |
| InChI | InChI | 1.06 | InChI=1S/C14H17BrN2O2S/c1-20-12-3-2-11(15)6-10(12)7-13(18)17-5-4-9(8-17)14(16)19/h2-3,6,9H,4-5,7-8H2,1H3,(H2,16,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | AZKVXQCFORNMSH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(Br)cc1CC(=O)N2CC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccc(Br)cc1CC(=O)N2CC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccc(cc1CC(=O)N2CC[C@@H](C2)C(=O)N)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccc(cc1CC(=O)N2CCC(C2)C(=O)N)Br |
