n-{2-[(2-Oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
Basic information
- CAS
425654-96-2- Standard SMILES
CC(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1- InChIKey
WZENCNNNIVJLDL-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2S2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.04967004
Names & identifiers
- Preferred name
- n-{2-[(2-Oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
- IUPAC
- N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)acetamide
Names & synonyms
n-{2-[(2-oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamideZINC00450808Cambridge id 6313639425654-96-2N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)acetamideDTXSID30979098STL352306AKOS022097837AB00105142-01SR-01000231969SR-01000231969-1N-(2-((2-oxo-2-phenylethyl)thio)benzo[d]thiazol-6-yl)acetamide
Show more names
N-{2-[(2-oxo-2-phenylethyl)thio]-1,3-benzothiazol-6-yl}acetamideN-{2-[(2-Oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}ethanimidic acid
Database identifiers
- CAS
425654-96-2、6313-63-9- PubChem CID
- 880432
- DTXSID
DTXSID30979098
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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