種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(O)c3ccc(Nc1nc(cs1)c2sc(nc2C)NC(=O)CC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C17H16N4O3S2/c1-3-13(22)21-17-18-9(2)14(26-17)12-8-25-16(20-12)19-11-6-4-10(5-7-11)15(23)24/h4-8H,3H2,1-2H3,(H,19,20)(H,23,24)(H,18,21,22) |
InChIKey | InChI | 1.03 | JOAXMWDTALNZFE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(cc3)C(O)=O)n2 |
SMILES | CACTVS | 3.370 | CCC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(cc3)C(O)=O)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C |