Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1nc(sc1)c3cc2c(OCC2)cc3)Nc5ccccc5N4CCNCC4 |
InChI | InChI | 1.03 | InChI=1S/C22H22N4O2S/c27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20/h1-6,13-14,23H,7-12H2,(H,24,27) |
InChIKey | InChI | 1.03 | WRGSHXQBWJUKQD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(Nc1ccccc1N2CCNCC2)c3csc(n3)c4ccc5OCCc5c4 |
SMILES | CACTVS | 3.370 | O=C(Nc1ccccc1N2CCNCC2)c3csc(n3)c4ccc5OCCc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5 |