Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24) |
InChIKey | InChI | 1.03 | XNBRWUQWSKXMPW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(N2CCOCC2)c3sc(NC(=O)N4CCC(C)(O)CC4)nc13 |
SMILES | CACTVS | 3.385 | COc1ccc(N2CCOCC2)c3sc(NC(=O)N4CCC(C)(O)CC4)nc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O |