| PDB CCD ID: | NNC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H13 Cl N2 O3 S |
| InChI: | InChI=1S/C17H13ClN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24) |
| InChIKey: | BWRRXOIACQYNEK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl | | CACTVS 3.341 | Clc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 | | ACDLabs 10.04 | Clc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O |
|
| Name: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate |
| ChEMBL: | CHEMBL191141 |
| DrugBank: | DB08282 |
| ZINC: | ZINC000013980686 |
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