Basic information
- Standard SMILES
CN(OCC(=O)O)C(=S)Nc1ccc(Oc2ccccc2)cc1- InChIKey
AZQCTUHHKHPZDZ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4S
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- [[[[(4-Phenoxyphenyl)amino]thioxomethyl]methylamino]oxy]acetic acid
- IUPAC
- 2-[methyl-[(4-phenoxyphenyl)carbamothioyl]amino]oxyacetic acid
Names & synonyms
SCHEMBL7163465AZQCTUHHKHPZDZ-UHFFFAOYSA-N[[[[(4-phenoxyphenyl)amino]thioxomethyl]methylamino]oxy] acetic acid[[[[(4-phenoxyphenyl)amino]thioxomethyl]methylamino]oxy]acetic acid
Database identifiers
- PubChem CID
- 85818052
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Related reactions
2 records
Compound notes
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