| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3OS/c19-10-12-4-5-15-16(11-21(6-7-22)17(15)8-12)13-2-1-3-14(9-13)18(20)23/h1-5,8-9,11,22H,6-7,10,19H2,(H2,20,23) |
| InChIKey | InChI | 1.03 | CIMSFIOQZTXZEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(N)=S |
| SMILES | CACTVS | 3.385 | NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(N)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO |
