Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(Nc1nc(cs1)C(N)COCc2ccccc2)Nc3ccc(F)c(Cl)c3 |
SMILES_CANONICAL | CACTVS | 3.352 | N[C@H](COCc1ccccc1)c2csc(NC(=O)Nc3ccc(F)c(Cl)c3)n2 |
SMILES | CACTVS | 3.352 | N[CH](COCc1ccccc1)c2csc(NC(=O)Nc3ccc(F)c(Cl)c3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COCC(c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N |
InChI | InChI | 1.03 | InChI=1S/C19H18ClFN4O2S/c20-14-8-13(6-7-15(14)21)23-18(26)25-19-24-17(11-28-19)16(22)10-27-9-12-4-2-1-3-5-12/h1-8,11,16H,9-10,22H2,(H2,23,24,25,26)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | DUYHXVUZFOXOBB-MRXNPFEDSA-N |