Basic information
- Standard SMILES
O=C(NNC(=S)Nc1ccccc1Cl)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1- InChIKey
ZIJPANNWNMSZTB-UHFFFAOYSA-N- Molecular formula
- C22H16ClF3N4O2S
- Average molar mass
- 492.9 g/mol
Names & identifiers
- Preferred name
- 4-(2-Chlorophenyl)-1-[3-(3-trifluoromethylbenzamido)-benzoyl]thiosemicarbazide
- IUPAC
- N-[3-[[(2-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
Names & synonyms
4-(2-chlorophenyl)-1-[3-(3-trifluoromethylbenzamido)-benzoyl]thiosemicarbazideSCHEMBL5344875
Database identifiers
- PubChem CID
- 58725950
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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