| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1ccc3c(c1c2ccc(C(NCCCN)=O)s2)cc(C(=O)N)s3 |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-6,9H,2,7-8,18H2,(H2,19,21)(H,20,22) |
| InChIKey | InChI | 1.03 | FMTKEOGINPLCJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(N)=O |
| SMILES | CACTVS | 3.385 | NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN |
