| PDB CCD ID: | K70 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C19 H16 N3 O2 S |
| InChI: | InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,25H,12H2,(H-,21,23,24)/p+1 |
| InChIKey: | AIQWDXVAECMLSN-UHFFFAOYSA-O |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(=O)(NO)c4ccc(C[n+]3c1ccccc1sc2cccnc23)cc4 | | OpenEye OEToolkits 2.0.6 | c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO | | CACTVS 3.385 | ONC(=O)c1ccc(C[N+]2=C3C=CC=CC3=[SH]c4cccnc24)cc1 |
|
| Name: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium |
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