| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | HLTKOFPQDKJCAN-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](c1ccc2NC(=O)Sc2c1)c3ccn(n3)c4ccc(OCCO)cn4 |
| SMILES | CACTVS | 3.385 | C[CH](c1ccc2NC(=O)Sc2c1)c3ccn(n3)c4ccc(OCCO)cn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](c1ccc2c(c1)SC(=O)N2)c3ccn(n3)c4ccc(cn4)OCCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1ccc2c(c1)SC(=O)N2)c3ccn(n3)c4ccc(cn4)OCCO |
