種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(c1c3c(sc1NC(=O)CN2CCOCC2)CCCC3)NCc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H27N3O3S/c26-19(15-25-10-12-28-13-11-25)24-22-20(17-8-4-5-9-18(17)29-22)21(27)23-14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,27)(H,24,26) |
InChIKey | InChI | 1.03 | JZNVWORYNPPJSO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(CN1CCOCC1)Nc2sc3CCCCc3c2C(=O)NCc4ccccc4 |
SMILES | CACTVS | 3.370 | O=C(CN1CCOCC1)Nc2sc3CCCCc3c2C(=O)NCc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3 |