Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(nc1)NC(=O)c2cc(Cl)cc(OC)c2NC(=O)c3scc(c3Cl)Cn4c(ncc4)NC |
SMILES_CANONICAL | CACTVS | 3.341 | CNc1nccn1Cc2csc(C(=O)Nc3c(OC)cc(Cl)cc3C(=O)Nc4ccc(Cl)cn4)c2Cl |
SMILES | CACTVS | 3.341 | CNc1nccn1Cc2csc(C(=O)Nc3c(OC)cc(Cl)cc3C(=O)Nc4ccc(Cl)cn4)c2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H19Cl3N6O3S/c1-27-23-28-5-6-32(23)10-12-11-36-20(18(12)26)22(34)31-19-15(7-14(25)8-16(19)35-2)21(33)30-17-4-3-13(24)9-29-17/h3-9,11H,10H2,1-2H3,(H,27,28)(H,31,34)(H,29,30,33) |
InChIKey | InChI | 1.03 | LLHSZBPXQIOQJJ-UHFFFAOYSA-N |