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Basic information
- CAS
532417-76-8- Standard SMILES
CC(C)c1ccc(C=CC(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1- InChIKey
ZILMERDJHZAQJS-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O3S
- Average molar mass
- 402.903 g/mol
- Monoisotopic mass
- 402.08049115
Names & identifiers
- Preferred name
- 4-chloro-3-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
- IUPAC
- 4-Chloro-3-[({3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
- English name
- 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
- Molecular formula
- C20H19ClN2O3S
- Molecular weight
- 402.89
Names & synonyms
4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACIDBENZOIC ACID, 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-Benzoic acid, 4-chloro-3-[[[[3-[4-(1-methylethyl)phenyl]-1-oxo-2-propen-1-yl]amino]thioxomethyl]amino]-
Database identifiers
- CAS
532417-76-8- PubChem CID
- 1301331
- DTXSID
DTXSID30361676
Properties
Physicochemical properties
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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