Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1c3c(sc1NC(=O)c2sccc2)CCC(C3)(C)C)N(CC)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CCC(C)(C)Cc13 |
SMILES | CACTVS | 3.341 | CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CCC(C)(C)Cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23) |
InChIKey | InChI | 1.03 | BCQPPORYBRTCLZ-UHFFFAOYSA-N |