種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1ccccc1Oc4ccc(c2cc(c(s2)C(O)=O)NC(=O)N(CC)Cc3ccccc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C27H24N2O4S/c1-2-29(18-19-9-5-3-6-10-19)27(32)28-23-17-24(34-25(23)26(30)31)20-13-15-22(16-14-20)33-21-11-7-4-8-12-21/h3-17H,2,18H2,1H3,(H,28,32)(H,30,31) |
InChIKey | InChI | 1.03 | QMFIMKMXDIPTKO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(O)=O)c3ccc(Oc4ccccc4)cc3 |
SMILES | CACTVS | 3.385 | CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(O)=O)c3ccc(Oc4ccccc4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4 |