| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1c(OC)cccc1SC(C)C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C17H25N3O3S/c1-11(2)24-14-8-4-7-13(23-3)15(14)19-17(22)20-9-5-6-12(10-20)16(18)21/h4,7-8,11-12H,5-6,9-10H2,1-3H3,(H2,18,21)(H,19,22)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | OFDCWASTDCXECL-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(SC(C)C)c1NC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1cccc(SC(C)C)c1NC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)Sc1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)Sc1cccc(c1NC(=O)N2CCCC(C2)C(=O)N)OC |
