| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c6c(n(C(C(=O)NC1CCCCC1)C2CCCCC2)c3c5ccc(c4ccccc4)s5)cccc6 |
| InChI | InChI | 1.03 | InChI=1S/C31H35N3OS/c35-31(32-24-16-8-3-9-17-24)29(23-14-6-2-7-15-23)34-26-19-11-10-18-25(26)33-30(34)28-21-20-27(36-28)22-12-4-1-5-13-22/h1,4-5,10-13,18-21,23-24,29H,2-3,6-9,14-17H2,(H,32,35)/t29-/m0/s1 |
| InChIKey | InChI | 1.03 | AUFPVOAEDLSRHU-LJAQVGFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1CCCCC1)[C@H](C2CCCCC2)n3c4ccccc4nc3c5sc(cc5)c6ccccc6 |
| SMILES | CACTVS | 3.385 | O=C(NC1CCCCC1)[CH](C2CCCCC2)n3c4ccccc4nc3c5sc(cc5)c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3C(C5CCCCC5)C(=O)NC6CCCCC6 |
