Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCCCN(CC)CC)Nc1cccc(c1)CN3N=C(c2cc(OC)c(OC)cc2)CSC3=O |
InChI | InChI | 1.03 | InChI=1S/C26H34N4O5S/c1-5-29(6-2)13-8-14-35-25(31)27-21-10-7-9-19(15-21)17-30-26(32)36-18-22(28-30)20-11-12-23(33-3)24(16-20)34-4/h7,9-12,15-16H,5-6,8,13-14,17-18H2,1-4H3,(H,27,31) |
InChIKey | InChI | 1.03 | WVYHFPSGWCCXMO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(CSC2=O)c3ccc(OC)c(OC)c3)c1 |
SMILES | CACTVS | 3.385 | CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(CSC2=O)c3ccc(OC)c(OC)c3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC |