種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(NC(=O)NC(C)C)c1cnccc1Nc1cc(C)ccc1 |
InChI | InChI | 1.06 | InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) |
InChIKey | InChI | 1.06 | NGBFQHCMQULJNZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)N[S](=O)(=O)c1cnccc1Nc2cccc(C)c2 |
SMILES | CACTVS | 3.385 | CC(C)NC(=O)N[S](=O)(=O)c1cnccc1Nc2cccc(C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C |