| PDB CCD ID: | QSA |
| Number of entries in FURNA: | 3 |
| Chemical formula: | C21 H20 N3 O S |
| InChI: | InChI=1S/C21H19N3OS/c1-22-20(25)14-24-18-9-5-6-10-19(18)26-21(24)13-15-11-12-23(2)17-8-4-3-7-16(15)17/h3-13H,14H2,1-2H3/p+1 |
| InChIKey: | TZTFXKRTFIOKBN-UHFFFAOYSA-O |
| SMILES: | CNC(=O)C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cccc4)C; CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C; CNC(=O)C[n+]1c(sc2ccccc12)C=C3C=CN(C)c4ccccc34; CNC(=O)C[n+]1c(sc2ccccc12)\C=C3/C=CN(C)c4ccccc34; C\1=CN(C)c4ccccc4C/1=C\c2[n+](CC(NC)=O)c3c(s2)cccc3 |
| Name: | ~{N}-methyl-2-[2-[(~{E})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide |
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