Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3)CCCN |
InChI | InChI | 1.03 | InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3 |
InChIKey | InChI | 1.03 | LCQJRANJHOEQFG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc3sccc3)c1 |
SMILES | CACTVS | 3.385 | Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc3sccc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3 |