Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC1CC1)c2cc(c(cc2)C)NC(=O)c3sc(nc3)c4c(Cl)cccc4 |
InChI | InChI | 1.03 | InChI=1S/C21H18ClN3O2S/c1-12-6-7-13(19(26)24-14-8-9-14)10-17(12)25-20(27)18-11-23-21(28-18)15-4-2-3-5-16(15)22/h2-7,10-11,14H,8-9H2,1H3,(H,24,26)(H,25,27) |
InChIKey | InChI | 1.03 | ZQXGAYYYCBUPSG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1NC(=O)c2sc(nc2)c3ccccc3Cl)C(=O)NC4CC4 |
SMILES | CACTVS | 3.370 | Cc1ccc(cc1NC(=O)c2sc(nc2)c3ccccc3Cl)C(=O)NC4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4 |