N-[4-[[3-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
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Basic information
- Standard SMILES
CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1- InChIKey
OAZXGSCIYVSZHH-UHFFFAOYSA-N- Molecular formula
- C22H17N3O4S3
- Average molar mass
- 483.6 g/mol
- Monoisotopic mass
- 483.03811955
Names & identifiers
- Preferred name
- N-[4-[[3-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
- IUPAC
- N-[4-[[3-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
Database identifiers
- PubChem CID
- 377907
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 987
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Compound notes
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