Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(OC)cc2)sc1 |
InChI | InChI | 1.03 | InChI=1S/C23H19ClN2O2S/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3 |
InChIKey | InChI | 1.03 | CKKMMWWEOWLHCZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4ccccc34 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4 |