Basic information
- Standard SMILES
CCCCCCCCc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(Cl)c2)cc1- InChIKey
LNHTUQFMXGCLME-UHFFFAOYSA-N- Molecular formula
- C33H36ClN3O4S
- Average molar mass
- 606.2 g/mol
Names & identifiers
- Preferred name
- N-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(4-octylbenzoyl)thiourea
- IUPAC
- N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-octylbenzamide
Names & synonyms
SCHEMBL5826002LNHTUQFMXGCLME-UHFFFAOYSA-NN-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(4-octylbenzoyl)thiourea
Database identifiers
- PubChem CID
- 21890818
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 829
Related reactions
2 records
Compound notes
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