PDB CCD ID: | O89 |
Number of entries in BioLiP: | 0 |
Chemical formula: | C18 H20 N3 S |
InChI: | InChI=1S/C18H20N3S/c1-13-5-10-16-17(11-13)22-18(21(16)4)19-12-14-6-8-15(9-7-14)20(2)3/h5-12H,1-4H3/q+1 |
InChIKey: | YMJKNBJZXPYPNA-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 3.1.0.0 | Cc1ccc2c(c1)sc([n+]2C)/N=C/c3ccc(cc3)N(C)C | OpenEye OEToolkits 3.1.0.0 | Cc1ccc2c(c1)sc([n+]2C)N=Cc3ccc(cc3)N(C)C | CACTVS 3.385 | CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n+]2C |
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Name: | 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline |