Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N4c3ccc(c1c2c(sc1)ccnc2N)cc3CC4)Cc5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C23H19N3OS/c24-23-22-18(14-28-20(22)8-10-25-23)16-6-7-19-17(13-16)9-11-26(19)21(27)12-15-4-2-1-3-5-15/h1-8,10,13-14H,9,11-12H2,(H2,24,25) |
InChIKey | InChI | 1.03 | ZDMNFWRMUCKWCS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nccc2scc(c3ccc4N(CCc4c3)C(=O)Cc5ccccc5)c12 |
SMILES | CACTVS | 3.370 | Nc1nccc2scc(c3ccc4N(CCc4c3)C(=O)Cc5ccccc5)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N |