種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1C(C1)(C(N2CCN(CC2)C(=O)c3ccsc3)=O)c4cccc(c4)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H19ClN2O2S/c20-16-3-1-2-15(12-16)19(5-6-19)18(24)22-9-7-21(8-10-22)17(23)14-4-11-25-13-14/h1-4,11-13H,5-10H2 |
InChIKey | InChI | 1.03 | QLLWPYBYUHWDTN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4cscc4 |
SMILES | CACTVS | 3.385 | Clc1cccc(c1)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4cscc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4 |