Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(C)C(=O)CSc1nc2c(CCc3csc(CCC)c23)cn1 |
InChI | InChI | 1.03 | InChI=1S/C19H24N2OS2/c1-5-6-14-16-13(10-23-14)8-7-12-9-20-18(21-17(12)16)24-11-15(22)19(2,3)4/h9-10H,5-8,11H2,1-4H3 |
InChIKey | InChI | 1.03 | KUBOQSZSJIRZFQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12 |
SMILES | CACTVS | 3.385 | CCCc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1c-2c(cs1)CCc3c2nc(nc3)SCC(=O)C(C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1c-2c(cs1)CCc3c2nc(nc3)SCC(=O)C(C)(C)C |