Basic information
- Standard SMILES
CCCC(C)C(=O)NC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1- InChIKey
IKCNKTISPIVOTF-UHFFFAOYSA-N- Molecular formula
- C24H26ClN3O4S
- Average molar mass
- 488 g/mol
Names & identifiers
- Preferred name
- N-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(2-methylpentanoyl)thiourea
- IUPAC
- N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methylpentanamide
Names & synonyms
SCHEMBL5825251IKCNKTISPIVOTF-UHFFFAOYSA-NN-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(2-methylpentanoyl)thiourea
Database identifiers
- PubChem CID
- 21891027
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 657
Related reactions
2 records
Compound notes
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