Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c5ccc(c4oc(C)c(CCOc2ccc(c1c2ccs1)CC3SC(=O)NC3=O)n4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28) |
InChIKey | InChI | 1.03 | HAAXAFNSRADSMK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1CCOc2ccc(C[C@H]3SC(=O)NC3=O)c4sccc24)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cc1oc(nc1CCOc2ccc(C[CH]3SC(=O)NC3=O)c4sccc24)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5 |