Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NCCC(C)C)c2ccc(c1nc(sc1)C)cc2 |
InChI | InChI | 1.03 | InChI=1S/C15H20N2O2S2/c1-11(2)8-9-16-21(18,19)14-6-4-13(5-7-14)15-10-20-12(3)17-15/h4-7,10-11,16H,8-9H2,1-3H3 |
InChIKey | InChI | 1.03 | SJDLWXZLGFYUCC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCN[S](=O)(=O)c1ccc(cc1)c2csc(C)n2 |
SMILES | CACTVS | 3.385 | CC(C)CCN[S](=O)(=O)c1ccc(cc1)c2csc(C)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C |