| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCc4ccc(\N=C1\N(C(C(S1)=[C@H]c3cc(Nc2ncc(cc2)C(=O)O)ncc3)=O)C)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- |
| InChIKey | InChI | 1.03 | ZJQWORQRPDYKRS-KGQWDEOMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(cc1)N=C2S\C(=C/c3ccnc(Nc4ccc(cn4)C(O)=O)c3)C(=O)N2C |
| SMILES | CACTVS | 3.385 | CCc1ccc(cc1)N=C2SC(=Cc3ccnc(Nc4ccc(cn4)C(O)=O)c3)C(=O)N2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccnc(c3)Nc4ccc(cn4)C(=O)O)S2)C |
