| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(c3ccc(c2c1c(sc(C(=O)O)c1)ccc2)s3)(NCCCN)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O3S2/c18-7-2-8-19-16(20)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)17(21)22/h1,3-6,9H,2,7-8,18H2,(H,19,20)(H,21,22) |
| InChIKey | InChI | 1.03 | PPVOHCUEWCXUEU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN |
