| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccccc1SC1CC1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H21N3O2S/c17-15(20)11-4-3-9-19(10-11)16(21)18-13-5-1-2-6-14(13)22-12-7-8-12/h1-2,5-6,11-12H,3-4,7-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | NRHXRDKTQQQCFH-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Nc2ccccc2SC3CC3 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Nc2ccccc2SC3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)SC3CC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)NC(=O)N2CCCC(C2)C(=O)N)SC3CC3 |
