Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)\C=C2/SC(=NC2=O)N3CCN(C)CC3 |
InChI | InChI | 1.03 | InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9- |
InChIKey | InChI | 1.03 | BSGZTQWZIBOTMJ-LCYFTJDESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1CCN(CC1)C2=NC(=O)C(/S2)=C/c3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.370 | CN1CCN(CC1)C2=NC(=O)C(S2)=Cc3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C2=NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2 |