Basic information
- CAS
6462-17-5- Standard SMILES
CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCC)c2)cc1- InChIKey
GCPWUOIRKSXEMI-UHFFFAOYSA-N- Molecular formula
- C21H24N2O4S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.14567842
Names & identifiers
- Preferred name
- Butyl 4-[(3-ethoxybenzoyl)carbamothioylamino]benzoate
- IUPAC
- butyl 4-[(3-ethoxybenzoyl)carbamothioylamino]benzoate
Names & synonyms
6462-17-5STK148394butyl 4-({[(3-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoateHydrazinecarboxylicacid, 2-[(5-nitro-2-thienyl)sulfonyl]-, ethyl esterbutyl 4-[(3-ethoxybenzoyl)carbamothioylamino]benzoateDTXSID80367764AKOS003255147Butyl 4-{[(3-ethoxybenzoyl)carbamothioyl]amino}benzoatebutyl 4-({[(3-ethoxybenzoyl)amino]carbonothioyl}amino)benzoate
Database identifiers
- CAS
6462-17-5- PubChem CID
- 2284560
- DTXSID
DTXSID80367764
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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