Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2sc(c1c(Cl)cccc1)cc2)Nc4cc(C(=O)NC3CC3)ccc4C |
InChI | InChI | 1.03 | InChI=1S/C22H19ClN2O2S/c1-13-6-7-14(21(26)24-15-8-9-15)12-18(13)25-22(27)20-11-10-19(28-20)16-4-2-3-5-17(16)23/h2-7,10-12,15H,8-9H2,1H3,(H,24,26)(H,25,27) |
InChIKey | InChI | 1.03 | BHSHXBRDUHHNCK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1NC(=O)c2sc(cc2)c3ccccc3Cl)C(=O)NC4CC4 |
SMILES | CACTVS | 3.370 | Cc1ccc(cc1NC(=O)c2sc(cc2)c3ccccc3Cl)C(=O)NC4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4 |