Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl |
InChI | InChI | 1.03 | InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22) |
InChIKey | InChI | 1.03 | GMAWQTHVIIUMFA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | SCCNC(=O)C1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl |
SMILES | CACTVS | 3.385 | SCCNC(=O)C1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS |