| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc(sc1c3cc2ccnc2cc3)C5(N4CCCC4)CCCCC5 |
| InChI | InChI | 1.03 | InChI=1S/C21H25N3S/c1-2-9-21(10-3-1,24-12-4-5-13-24)19-15-23-20(25-19)17-6-7-18-16(14-17)8-11-22-18/h6-8,11,14-15,22H,1-5,9-10,12-13H2 |
| InChIKey | InChI | 1.03 | MXBHIYKTGVOQMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5[nH]ccc5c4 |
| SMILES | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5[nH]ccc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5 |
