Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(cccc1)SC2C(NC(CC2=O)(c3nc(ccc3)Nc4ccc(cc4)F)c5cscc5)=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C26H19ClFN3O2S2/c27-19-4-1-2-5-21(19)35-24-20(32)14-26(31-25(24)33,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,24H,14H2,(H,29,30)(H,31,33)/t24-,26-/m0/s1 |
InChIKey | InChI | 1.03 | QQAHTOHBFSHZCZ-AHWVRZQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(Nc2cccc(n2)[C@]3(CC(=O)[C@H](Sc4ccccc4Cl)C(=O)N3)c5cscc5)cc1 |
SMILES | CACTVS | 3.385 | Fc1ccc(Nc2cccc(n2)[C]3(CC(=O)[CH](Sc4ccccc4Cl)C(=O)N3)c5cscc5)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)S[C@H]2C(=O)C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)SC2C(=O)CC(NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl |