Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1)n2c(c(cn2)C(NCCCS)=O)C(F)(F)F)OC |
InChI | InChI | 1.03 | InChI=1S/C15H16F3N3O2S/c1-23-11-5-3-10(4-6-11)21-13(15(16,17)18)12(9-20-21)14(22)19-7-2-8-24/h3-6,9,24H,2,7-8H2,1H3,(H,19,22) |
InChIKey | InChI | 1.03 | JVRFSWXFNVLIFF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)n2ncc(C(=O)NCCCS)c2C(F)(F)F |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)n2ncc(C(=O)NCCCS)c2C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F |