Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)c([N+](=O)[O-])c3)c2cc1OC- InChIKey
NZLGDVBHNWFEEX-UHFFFAOYSA-N- Molecular formula
- C26H22N4O6S
- Average molar mass
- 518.5 g/mol
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-nitrophenyl}-N'-(3-methylbenzoyl)thiourea
- IUPAC
- N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]carbamothioyl]-3-methylbenzamide
Names & synonyms
SCHEMBL5824381NZLGDVBHNWFEEX-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-nitrophenyl}-N'-(3-methylbenzoyl)thiourea
Database identifiers
- PubChem CID
- 21890175
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 812
Related reactions
2 records
Compound notes
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