Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1ccccc1n(c2SCCOc3ccccc3)CCOc4ccc(cc4)C |
InChI | InChI | 1.03 | InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3 |
InChIKey | InChI | 1.03 | PNCBJXVNIRRHJP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(OCCn2c(SCCOc3ccccc3)nc4ccccc24)cc1 |
SMILES | CACTVS | 3.385 | Cc1ccc(OCCn2c(SCCOc3ccccc3)nc4ccccc24)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4 |