Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3 |
InChIKey | InChI | 1.06 | HIQSGTMYVPXYRT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4 |
SMILES | CACTVS | 3.385 | CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)C4CCCC4)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)C4CCCC4)C(=O)C |