種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4sccc4 |
SMILES | CACTVS | 3.370 | O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4sccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 |
InChI | InChI | 1.03 | InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2 |
InChIKey | InChI | 1.03 | FNAMKJFTCMWMKP-UHFFFAOYSA-N |