Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(C)C)Nc4cc3ccccc3cc4 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1sc(NC(=O)Nc2ccc3ccccc3c2)c(c1)C(=O)N4CC[S](=O)(=O)CC4 |
SMILES | CACTVS | 3.370 | CC(C)(C)c1sc(NC(=O)Nc2ccc3ccccc3c2)c(c1)C(=O)N4CC[S](=O)(=O)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4 |
InChI | InChI | 1.03 | InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-19(22(28)27-10-12-33(30,31)13-11-27)21(32-20)26-23(29)25-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29) |
InChIKey | InChI | 1.03 | AKQQWIZLJKLJED-UHFFFAOYSA-N |