種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1 |
InChI | InChI | 1.06 | InChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20) |
InChIKey | InChI | 1.06 | SEJPAIIMDWAFGL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1sccc1)N2CCN(CC2)C(=O)c3sccc3 |
SMILES | CACTVS | 3.385 | O=C(NCc1sccc1)N2CCN(CC2)C(=O)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 |