Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1Cc2c(SCC1)ccc(OC)c2)CCN4CCC(Cc3ccccc3)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2SCCN(Cc2c1)C(=O)CCN3CCC(CC3)Cc4ccccc4 |
SMILES | CACTVS | 3.341 | COc1ccc2SCCN(Cc2c1)C(=O)CCN3CCC(CC3)Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3 |
InChIKey | InChI | 1.03 | KCWGETCFOVJEPI-UHFFFAOYSA-N |