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| Ligand Name: N-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB285 |
PubChem:
1998838
|
Synonym(s):
- chembl381033
- mls000778546
- cid_1998838
- regid_for_cid_1998838
- hms2755k11
- zinc8828411
- bdbm50181684
- akos002216549
- smr000415340
- st50158527
- 5-(2-methyl-3-phenyl-allylidene)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
- 366808-70-0
- 5-((2e)-2-methyl-3-phenylprop-2-enylidene)-3-[(phenylsulfonyl)amino]-2-thioxo- 1,3-thiazolidin-4-one
- n-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzenesulfonamide
- n-{5-[(e)-2-methyl-3-phenyl-prop-2-en-(z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-benzenesulfonamide
show 14 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL381033 |
| Canonical SMILES: C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=C/c1ccccc1 |
| Standard InChI: InChI=1S/C19H16N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-13,20H,1H3/b14-12+,17-13- |
| Molecular Formula: C19H16N2O3S3 |
Mol. Weight: 416.03232 |
logP: 3.7276 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 5 | TPSA: 66.48 |