N-Cyclopentylcarbonyl-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea
Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)C4CCCC4)cc3)c2cc1OC- InChIKey
LTGXSPORYMYOSE-UHFFFAOYSA-N- Molecular formula
- C24H25N3O4S
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.15657746
Names & identifiers
- Preferred name
- N-Cyclopentylcarbonyl-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea
- IUPAC
- N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]cyclopentanecarboxamide
Names & synonyms
SCHEMBL5825514LTGXSPORYMYOSE-UHFFFAOYSA-NN-Cyclopentylcarbonyl-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea
Database identifiers
- PubChem CID
- 21890891
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 637
Related reactions
1 records
Compound notes
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