Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC |
InChI | InChI | 1.03 | InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28) |
InChIKey | InChI | 1.03 | GFYCKNKAOMHFQF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2 |
SMILES | CACTVS | 3.385 | COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl |