Basic information
- CAS
434304-15-1- Standard SMILES
Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1Cl- InChIKey
XQAIXENFZMXALX-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O3S
- Average molar mass
- 362.8 g/mol
- Monoisotopic mass
- 362.0491912
Names & identifiers
- Preferred name
- 3-[(3-Chloro-4-methylbenzoyl)carbamothioylamino]-2-methylbenzoic acid
- IUPAC
- 3-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-2-methylbenzoic acid
- English name
- 3-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
- Molecular formula
- C17H15ClN2O3S
- Molecular weight
- 0
Names & synonyms
434304-15-13-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-2-methylbenzoic acidDTXSID10403826AKOS0001088543-{[(3-Chloro-4-methylbenzoyl)carbamothioyl]amino}-2-methylbenzoic acid3-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACIDBENZOIC ACID, 3-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-
Database identifiers
- CAS
434304-15-1- PubChem CID
- 4507535
- DTXSID
DTXSID10403826
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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