| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c23c(N=C(CSC1CCNCC1)NC2=O)cc(cc3F)NC4CCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25) |
| InChIKey | InChI | 1.03 | YZDTVOCBHYWUNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(NC2CCCC2)cc3N=C(CSC4CCNCC4)NC(=O)c13 |
| SMILES | CACTVS | 3.385 | Fc1cc(NC2CCCC2)cc3N=C(CSC4CCNCC4)NC(=O)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4 |
