Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCSC1)C5NCC(N4CCC(c3cc(nn3c2ccccc2)C(F)(F)F)CC4)C5 |
InChI | InChI | 1.03 | InChI=1S/C23H28F3N5OS/c24-23(25,26)21-13-20(31(28-21)17-4-2-1-3-5-17)16-6-8-29(9-7-16)18-12-19(27-14-18)22(32)30-10-11-33-15-30/h1-5,13,16,18-19,27H,6-12,14-15H2/t18-,19-/m0/s1 |
InChIKey | InChI | 1.03 | CYNIHEXFNGMKLP-OALUTQOASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)c1cc([C@H]2CCN(CC2)[C@@H]3CN[C@@H](C3)C(=O)N4CCSC4)n(n1)c5ccccc5 |
SMILES | CACTVS | 3.370 | FC(F)(F)c1cc([CH]2CCN(CC2)[CH]3CN[CH](C3)C(=O)N4CCSC4)n(n1)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5 |