| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCSC(=[N@H])N)C(=O)N5 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCSC(N)=N)c5ccccc45 |
| SMILES | CACTVS | 3.341 | Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCSC(N)=N)c5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C |
| InChI | InChI | 1.03 | InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) |
| InChIKey | InChI | 1.03 | DSXXEELGXBCYNQ-UHFFFAOYSA-N |
