Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H16N2O3S/c1-11-4-3-5-13(8-11)19-18-20-17(22)16(24-18)10-12-6-7-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10- |
InChIKey | InChI | 1.06 | KEFDMGNZNIQUEO-YBEGLDIGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3cccc(C)c3 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(C)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)O)OC)/S2 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)OC)S2 |