Basic information
- CAS
375355-78-5- Standard SMILES
CCOc1ccc2nc(SCC(=O)N3c4ccccc4C(C)=CC3(C)C)sc2c1- InChIKey
MAHVBGHEFDKTOP-UHFFFAOYSA-N- Molecular formula
- C23H24N2O2S2
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.12792036
Names & identifiers
- Preferred name
- 1-{[(6-Ethoxy-1,3-benzothiazol-2-yl)thio]acetyl}-2,2,4-trimethyl-1,2-dihydroquinoline
- IUPAC
- 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone
- English name
- 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
- Molecular formula
- C23H24N2O2S2
- Molecular weight
- 424.58
Names & synonyms
1-{[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl}-2,2,4-trimethyl-1,2-dihydroquinoline375355-78-52-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanoneOprea1_692720STK129489AKOS001011786UPCMLD0ENAT0505-5837:001EU-0008986VU0060883-1AF-399/40741266SR-01000470532SR-01000470532-1
Show more names
Ethanone, 2-[(6-ethoxy-2-benzothiazolyl)thio]-1-(2,2,4-trimethyl-1(2H)-quinolinyl)-
Z568052092-((6-ethoxybenzo[d]thiazol-2-yl)thio)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanoneethyl 2-{[2-oxo-2-(2,2,4-trimethyl-1(2H)-quinolinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl ether
Database identifiers
- CAS
375355-78-5- PubChem CID
- 1045452
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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