Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c2nn(c1c2C(=O)CC(C1)(C)C)c3ccc(C(=O)N)c(NCCSC)c3 |
SMILES_CANONICAL | CACTVS | 3.370 | CSCCNc1cc(ccc1C(N)=O)n2nc(c3C(=O)CC(C)(C)Cc23)C(F)(F)F |
SMILES | CACTVS | 3.370 | CSCCNc1cc(ccc1C(N)=O)n2nc(c3C(=O)CC(C)(C)Cc23)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C |
InChI | InChI | 1.03 | InChI=1S/C20H23F3N4O2S/c1-19(2)9-14-16(15(28)10-19)17(20(21,22)23)26-27(14)11-4-5-12(18(24)29)13(8-11)25-6-7-30-3/h4-5,8,25H,6-7,9-10H2,1-3H3,(H2,24,29) |
InChIKey | InChI | 1.03 | ISQWIAFSRBRSHC-UHFFFAOYSA-N |