| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C4c5ccccc5N=C(SCCC(=O)NC3CCC(c1nnc(o1)c2ccccc2)CC3)N4 |
| InChI | InChI | 1.03 | InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18- |
| InChIKey | InChI | 1.03 | IOMJPRIMVDNEHH-IYARVYRRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCSC1=Nc2ccccc2C(=O)N1)N[C@H]3CC[C@@H](CC3)c4oc(nn4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | O=C(CCSC1=Nc2ccccc2C(=O)N1)N[CH]3CC[CH](CC3)c4oc(nn4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4 |
