Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c32c(C(CC(Nc1nccs1)=O)(C)NCC2)cc(c(c3)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C17H21N3O3S/c1-17(10-15(21)20-16-18-6-7-24-16)12-9-14(23-3)13(22-2)8-11(12)4-5-19-17/h6-9,19H,4-5,10H2,1-3H3,(H,18,20,21)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | GGTAOAOMAPVDLB-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN[C@](C)(CC(=O)Nc3sccn3)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2CCN[C](C)(CC(=O)Nc3sccn3)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3 |