| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O |
| SMILES | CACTVS | 3.341 | CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 |
| InChIKey | InChI | 1.03 | NOSIYYJFMPDDSA-UHFFFAOYSA-N |
