Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(=S)Nc3ccc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)Cc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C26H23N3O4S/c1-31-23-15-20-21(16-24(23)32-2)27-13-12-22(20)33-19-10-8-18(9-11-19)28-26(34)29-25(30)14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,28,29,30,34) |
InChIKey | InChI | 1.03 | BRXZUOJFGVQTAB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC |
SMILES | CACTVS | 3.370 | COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4 |