Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5 |
InChI | InChI | 1.03 | InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 |
InChIKey | InChI | 1.03 | JAMULYFATHSZJM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(Oc2c1cccc2c3cccc4c3sc5ccccc45)N6CCOCC6 |
SMILES | CACTVS | 3.385 | O=C1C=C(Oc2c1cccc2c3cccc4c3sc5ccccc45)N6CCOCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6 |