Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(C5CCCCC5)cc4)cc3)c2cc1OC- InChIKey
JVZGUHXSPZWVRY-UHFFFAOYSA-N- Molecular formula
- C31H31N3O4S
- Average molar mass
- 541.7 g/mol
Names & identifiers
- Preferred name
- N-(4-Cyclohexylbenzoyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea
- IUPAC
- 4-cyclohexyl-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide
Names & synonyms
SCHEMBL5825729JVZGUHXSPZWVRY-UHFFFAOYSA-NN-(4-Cyclohexylbenzoyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea
Database identifiers
- PubChem CID
- 21890920
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
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