Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@H](O)[C@@H](O)[C@@H]2O |
SMILES | CACTVS | 3.341 | CCCCCCCCNC(=S)N1[CH]2CO[CH]1[CH](O)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCNC(=S)N1C2COC1C(C(C2O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15(22)17-10-9-21-14(17)13(20)12(19)11(10)18/h10-14,18-20H,2-9H2,1H3,(H,16,22)/t10-,11+,12-,13+,14+/m0/s1 |
InChIKey | InChI | 1.03 | LFSNQOFOMJLHIW-MEBFFEOJSA-N |