Basic information
- CAS
76870-21-8- Standard SMILES
O=C(c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)N1CCCCC1- InChIKey
PUTXZAFKLFEBDA-UHFFFAOYSA-N- Molecular formula
- C19H20ClN3OS
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1015611
Names & identifiers
- Preferred name
- Piperidine, 1-(4-((((4-chlorophenyl)amino)thioxomethyl)amino)benzoyl)-
- IUPAC
- 1-(4-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
Names & synonyms
Piperidine, 1-(4-((((4-chlorophenyl)amino)thioxomethyl)amino)benzoyl)-1-(4-((((4-Chlorophenyl)amino)thioxomethyl)amino)benzoyl)piperidine76870-21-8DTXSID40227673RefChem:373080DTXCID90150164AKOS003685718N-(4-Chlorophenyl)-N'-[4-(piperidine-1-carbonyl)phenyl]thiourea
Database identifiers
- CAS
76870-21-8- PubChem CID
- 3059615
- DTXSID
DTXSID40227673
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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