Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1sc(SC)c2ccccc12)N5CCC3(c4cc(ccc4OC3)CN)CC5 |
SMILES_CANONICAL | CACTVS | 3.341 | CSc1sc(C(=O)N2CCC3(CC2)COc4ccc(CN)cc34)c5ccccc15 |
SMILES | CACTVS | 3.341 | CSc1sc(C(=O)N2CCC3(CC2)COc4ccc(CN)cc34)c5ccccc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN |
SMILES | OpenEye OEToolkits | 1.5.0 | CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN |
InChI | InChI | 1.03 | InChI=1S/C23H24N2O2S2/c1-28-22-17-5-3-2-4-16(17)20(29-22)21(26)25-10-8-23(9-11-25)14-27-19-7-6-15(13-24)12-18(19)23/h2-7,12H,8-11,13-14,24H2,1H3 |
InChIKey | InChI | 1.03 | VCUDZTCDUDDJGG-UHFFFAOYSA-N |