Basic information
- Standard SMILES
CCOCCC(=O)NC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1- InChIKey
LDOXIICUVAGRLG-UHFFFAOYSA-N- Molecular formula
- C23H25N3O5S
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(3-ethoxypropanoyl)thiourea
- IUPAC
- N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-ethoxypropanamide
Names & synonyms
SCHEMBL1878823LDOXIICUVAGRLG-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-phenyl}-N'-(3-ethoxypropanoyl)thioureaN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(3-ethoxypropanoyl)thiourea
Database identifiers
- PubChem CID
- 21890737
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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