Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(C)C)c1ccc(cc1)Nc2ncc(c(OC)n2)c3scc(C(=O)O)c3 |
InChI | InChI | 1.03 | InChI=1S/C19H18N4O4S/c1-23(2)17(24)11-4-6-13(7-5-11)21-19-20-9-14(16(22-19)27-3)15-8-12(10-28-15)18(25)26/h4-10H,1-3H3,(H,25,26)(H,20,21,22) |
InChIKey | InChI | 1.03 | HXQTUKJNZNLOBD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1c3scc(c3)C(O)=O |
SMILES | CACTVS | 3.370 | COc1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1c3scc(c3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O |