Basic information
- CAS
866154-61-2- Standard SMILES
CC(=O)N(C(C)=O)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S- InChIKey
ADGBFIPVJBPVOM-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5S2
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.01876383
Names & identifiers
- Preferred name
- N-acetyl-N-{5-[(Z)-1,3-benzodioxol-5-ylmethylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}acetamide
- IUPAC
- N-acetyl-N-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
Names & synonyms
DTXSID001126368N-acetyl-N-{5-[(Z)-1,3-benzodioxol-5-ylmethylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}acetamideAKOS030253607N-Acetyl-N-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-3-thiazolidinyl]acetamideN-Acetyl-N-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide
Database identifiers
- CAS
866154-61-2- PubChem CID
- 3696774
- DTXSID
DTXSID001126368
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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