Basic information
- CAS
532429-65-5- Standard SMILES
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1Cl- InChIKey
SMNFJOIZZREXRM-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O3S
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0335411
Names & identifiers
- Preferred name
- 4-[(3-Chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
- IUPAC
- 4-[(3-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid
- English name
- 4-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
- Molecular formula
- C16H13ClN2O3S
- Molecular weight
- 348.8
Names & synonyms
532429-65-54-[(3-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acidDTXSID00359368AKOS000108866DB-3053884-{[(3-Chloro-4-methylbenzoyl)carbamothioyl]amino}benzoic acid4-[[[(3-Chloro-4-methylbenzoyl)amino]thioxomethyl ]amino]-benzoic acid4-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACIDBENZOIC ACID, 4-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-
Database identifiers
- CAS
532429-65-5- PubChem CID
- 960754
- DTXSID
DTXSID00359368
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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