| PDB CCD ID: | 46K |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H14 N4 O4 S2 |
| InChI: | InChI=1S/C18H14N4O4S2/c1-10(23)22-28(25,26)12-4-2-11(3-5-12)19-8-13-16-14(21-18(13)24)6-7-15-17(16)27-9-20-15/h2-9,19H,1H3,(H,21,24)(H,22,23)/b13-8- |
| InChIKey: | HSTYENZAXRTDNP-JYRVWZFOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CC(=O)N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1 | | CACTVS 3.370 | CC(=O)N[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1 | | OpenEye OEToolkits 1.7.2 | CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O | | OpenEye OEToolkits 1.7.2 | CC(=O)NS(=O)(=O)c1ccc(cc1)NC=C2c3c(ccc4c3scn4)NC2=O | | ACDLabs 12.01 | O=C(NS(=O)(=O)c1ccc(cc1)N\C=C2/C(=O)Nc4c2c3scnc3cc4)C |
|
| Name: | N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide |
| ChEMBL: | CHEMBL1964243 |
| ZINC: | ZINC000013470493 |
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