| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1c(OC)cccc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H21N3O3S/c1-21-11-6-3-7-12(22-2)13(11)17-15(20)18-8-4-5-10(9-18)14(16)19/h3,6-7,10H,4-5,8-9H2,1-2H3,(H2,16,19)(H,17,20)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | UWEZCQKXPKGRPJ-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(SC)c1NC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1cccc(SC)c1NC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N)SC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cccc(c1NC(=O)N2CCCC(C2)C(=O)N)SC |
