Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C17H21F3N4OS/c1-10-14(11(2)25)12(3-4-17(18,19)20)15(22-10)13-9-26-16(23-13)24-7-5-21-6-8-24/h9,21-22H,3-8H2,1-2H3 |
InChIKey | InChI | 1.06 | MWUAUINBVTULOI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c(C)[nH]c(c1CCC(F)(F)F)c2csc(n2)N3CCNCC3 |
SMILES | CACTVS | 3.385 | CC(=O)c1c(C)[nH]c(c1CCC(F)(F)F)c2csc(n2)N3CCNCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(F)(F)F)C(=O)C |
SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(F)(F)F)C(=O)C |