Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)Cc2c5ccc(O)cc5sc2c4ccc(OCCN3CCCC3)nc4)CCN6CCCC6 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2c(Cc3ccc(OCCN4CCCC4)cc3)c(sc2c1)c5ccc(OCCN6CCCC6)nc5 |
SMILES | CACTVS | 3.341 | Oc1ccc2c(Cc3ccc(OCCN4CCCC4)cc3)c(sc2c1)c5ccc(OCCN6CCCC6)nc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6 |
InChI | InChI | 1.03 | InChI=1S/C32H37N3O3S/c36-26-8-11-28-29(21-24-5-9-27(10-6-24)37-19-17-34-13-1-2-14-34)32(39-30(28)22-26)25-7-12-31(33-23-25)38-20-18-35-15-3-4-16-35/h5-12,22-23,36H,1-4,13-21H2 |
InChIKey | InChI | 1.03 | KEDLOQLGBOISAT-UHFFFAOYSA-N |