S-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] carbamothioate
Basic information
- CAS
5433-33-0- Standard SMILES
NC(=O)SCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1- InChIKey
CDYGABFPNWILRB-UHFFFAOYSA-N- Molecular formula
- C14H14N4O4S2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.04564729
Names & identifiers
- Preferred name
- S-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] carbamothioate
- IUPAC
- S-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] carbamothioate
Names & synonyms
5433-33-0NSC13367DTXSID00969401NSC-13367DS-0039812-carbamoylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamideS-(2-Oxo-2-{4-[(pyridin-2-yl)sulfamoyl]anilino}ethyl) hydrogen carbonimidothioate
Database identifiers
- CAS
5433-33-0- PubChem CID
- 224682
- DTXSID
DTXSID00969401
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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