Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4ccc(c3nc(CCC(c2ccc(\C=C1\C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28) |
InChIKey | InChI | 1.03 | DAVUFXMQAAAHHE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1CCC(=O)c2ccc(cc2)\C=C\3SC(=O)NC\3=O)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1oc(nc1CCC(=O)c2ccc(cc2)C=C3SC(=O)NC3=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4 |