Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H28N4O2S/c27-21(20-4-3-15-29-20)25-11-13-26(14-12-25)22(28)23-16-18-5-7-19(8-6-18)17-24-9-1-2-10-24/h3-8,15H,1-2,9-14,16-17H2,(H,23,28) |
InChIKey | InChI | 1.03 | UTOUOHONUGPBCF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccc(CN2CCCC2)cc1)N3CCN(CC3)C(=O)c4sccc4 |
SMILES | CACTVS | 3.385 | O=C(NCc1ccc(CN2CCCC2)cc1)N3CCN(CC3)C(=O)c4sccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4 |