Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCN2c1ccccc1N(C2=O)Cc3c4c(cccc4sc3)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cccc2scc(CN3C(=O)N(CCCC(O)=O)c4ccccc34)c12 |
SMILES | CACTVS | 3.370 | Cc1cccc2scc(CN3C(=O)N(CCCC(O)=O)c4ccccc34)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O3S/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22(21(23)26)11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25) |
InChIKey | InChI | 1.03 | WYBNXPWKJQJMLG-UHFFFAOYSA-N |