Basic information
- Standard SMILES
CCOC(=O)NC(=S)Nc1ccc(Oc2cccc(NC(=O)OC(C)(C)C)c2)cn1- InChIKey
OJSMLVLZKPHFMO-UHFFFAOYSA-N- Molecular formula
- C20H24N4O5S
- Average molar mass
- 432.5 g/mol
Names & identifiers
- Preferred name
- Ethyl{[(5-{3-[(tert-butoxycarbonyl)amino]phenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate
- IUPAC
- tert-butyl N-[3-[[6-(ethoxycarbonylcarbamothioylamino)-3-pyridinyl]oxy]phenyl]carbamate
Names & synonyms
OJSMLVLZKPHFMO-UHFFFAOYSA-Nethyl{[(5-{3-[(tert-butoxycarbonyl)amino]phenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate
Database identifiers
- PubChem CID
- 91208855
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
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