Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(=S)ss2)Cc2ccccc2)cc1- InChIKey
ZWMHWZVPJJHEAY-UHFFFAOYSA-N- Molecular formula
- C18H17N3O4S4
- Average molar mass
- 467.6 g/mol
Names & identifiers
- Preferred name
- 2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acetoamide
- IUPAC
- 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)acetamide
Names & synonyms
SCHEMBL5088829ZWMHWZVPJJHEAY-UHFFFAOYSA-N2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acetoamide
Database identifiers
- PubChem CID
- 59680515
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 724
Related reactions
2 records
Compound notes
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