Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H30N2O4S/c29-22-17-23(26(31)27-14-16-33-19-27)28(18-22)25(30)11-6-15-32-24-10-5-4-9-21(24)13-12-20-7-2-1-3-8-20/h1-5,7-10,12-13,22-23,29H,6,11,14-19H2/b13-12+ |
InChIKey | InChI | 1.03 | VJHGOPMDXSBFHZ-OUKQBFOZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@H](N(C1)C(=O)CCCOc2ccccc2\C=C\c3ccccc3)C(=O)N4CCSC4 |
SMILES | CACTVS | 3.385 | O[CH]1C[CH](N(C1)C(=O)CCCOc2ccccc2C=Cc3ccccc3)C(=O)N4CCSC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C=Cc2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O |