Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H22N4O4S/c1-24-15-8-6-5-7-14(15)22-20(24)29-12-17(25)23-21-11-13-9-10-16(26-2)19(28-4)18(13)27-3/h5-11H,12H2,1-4H3,(H,23,25)/b21-11+ |
InChIKey | InChI | 1.03 | CKRLLWUTMXLHQI-SRZZPIQSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c(OC)c1OC |
SMILES | CACTVS | 3.385 | COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)c(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccccc2nc1SCC(=O)N/N=C/c3ccc(c(c3OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccccc2nc1SCC(=O)NN=Cc3ccc(c(c3OC)OC)OC |