Basic information
- CAS
59440-81-2- Standard SMILES
O=C(O)CNC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1- InChIKey
XLIPROSBDWTKNM-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.08341252
Names & identifiers
- Preferred name
- N-{4-[(Phenylcarbamothioyl)amino]benzoyl}glycine
- IUPAC
- 2-[[4-(phenylcarbamothioylamino)benzoyl]amino]acetic acid
Names & synonyms
59440-81-2NSC213630N-{4-[(Phenylcarbamothioyl)amino]benzoyl}glycineCHEMBL2386041DTXSID30409486NSC-213630
Database identifiers
- CAS
59440-81-2- PubChem CID
- 5200731
- DTXSID
DTXSID30409486- ChEMBL
CHEMBL2386041
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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