種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(OCC)c1nc(sc1)N4CCN(C2=Nc3c(SC2)cccc3)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3 |
SMILES | CACTVS | 3.341 | CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3 |
InChI | InChI | 1.03 | InChI=1S/C18H20N4O2S2/c1-2-24-17(23)14-11-26-18(20-14)22-9-7-21(8-10-22)16-12-25-15-6-4-3-5-13(15)19-16/h3-6,11H,2,7-10,12H2,1H3 |
InChIKey | InChI | 1.03 | AQJQFCRTSWIUCY-UHFFFAOYSA-N |