種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O |
InChI | InChI | 1.03 | InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16) |
InChIKey | InChI | 1.03 | PHSRIBPDBMYXMN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1 |
SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC |