2-furyl-N-[2,2,2-trichloro-1-({[(4-ethoxyphenyl)amino]thioxomethyl}amino)ethyl]carboxamide
Basic information
- CAS
314750-34-0- Standard SMILES
CCOc1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1- InChIKey
XKLDNIHJGAXTMB-UHFFFAOYSA-N- Molecular formula
- C16H16Cl3N3O3S
- Average molar mass
- 436.7 g/mol
- Monoisotopic mass
- 434.997796
Names & identifiers
- Preferred name
- 2-furyl-N-[2,2,2-trichloro-1-({[(4-ethoxyphenyl)amino]thioxomethyl}amino)ethyl]carboxamide
- IUPAC
- N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]furan-2-carboxamide
Names & synonyms
AKOS002311121AKOS016324985ST50784382FURAN-2-CARBOXYLIC ACID (2,2,2-TRICHLORO-1-(3-(4-ETHOXY-PH)-THIOUREIDO)-ET)AMIDE2-furyl-N-[2,2,2-trichloro-1-({[(4-ethoxyphenyl)amino]thioxomethyl}amino)ethyl ]carboxamide
Database identifiers
- CAS
314750-34-0- PubChem CID
- 4123486
- EC Number
- 162-654-4
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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