種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C2c1ccc(cc1C(=O)N2c4ccc(Sc3ccc(N)cc3)cc4)N |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1ccc(Sc2ccc(cc2)N3C(=O)c4ccc(N)cc4C3=O)cc1 |
SMILES | CACTVS | 3.352 | Nc1ccc(Sc2ccc(cc2)N3C(=O)c4ccc(N)cc4C3=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N |
InChI | InChI | 1.03 | InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2 |
InChIKey | InChI | 1.03 | FQQVTDIBUYSVHM-UHFFFAOYSA-N |