Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | VZOLINZYKOLXAC-RBSFLKMASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C[C@H]1CCc2sc3ncnc(O[C@@H]4CC[C@H](CC4)N5CCOCC5)c3c12 |
SMILES | CACTVS | 3.385 | NC(=O)C[CH]1CCc2sc3ncnc(O[CH]4CC[CH](CC4)N5CCOCC5)c3c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1nc(c2c3c(sc2n1)CCC3CC(=O)N)OC4CCC(CC4)N5CCOCC5 |