Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(=O)c1ccc(cc1)CN2C(=O)C=NC2=O)c4ccc3nc(sc3c4)N5CCOCC5 |
InChI | InChI | 1.03 | InChI=1S/C22H19N5O4S/c28-19-12-23-21(30)27(19)13-14-1-3-15(4-2-14)20(29)24-16-5-6-17-18(11-16)32-22(25-17)26-7-9-31-10-8-26/h1-6,11-12H,7-10,13H2,(H,24,29) |
InChIKey | InChI | 1.03 | DIGDPYANABPQFC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccc2nc(sc2c1)N3CCOCC3)c4ccc(CN5C(=O)C=NC5=O)cc4 |
SMILES | CACTVS | 3.385 | O=C(Nc1ccc2nc(sc2c1)N3CCOCC3)c4ccc(CN5C(=O)C=NC5=O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5 |