| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSCC(=O)Nc2cc1cccnc1c3ncccc23 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSCC(=O)Nc1cc2cccnc2c3ncccc13)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSCC(=O)Nc1cc2cccnc2c3ncccc13)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cc(c3cccnc3c2nc1)NC(=O)CSCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | ZFGIPRHDRFOMFO-LBPRGKRZSA-N |
