Basic information
- Standard SMILES
COc1cc(CSC(=S)N(C)C)nc(NC(=O)NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1- InChIKey
VFMTZBPIQOYDJJ-UHFFFAOYSA-N- Molecular formula
- C18H24N6O6S4
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- N-(2-Dimethylsulfamoylphenyl-sulfonyl)-N'-(4-methoxy-6-dimethylthiocarbamoylthiomethyl-pyrimidin-2-yl)-urea
- IUPAC
- [2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-6-methoxypyrimidin-4-yl]methyl N,N-dimethylcarbamodithioate
Names & synonyms
SCHEMBL9788631VFMTZBPIQOYDJJ-UHFFFAOYSA-NN-(2-Dimethylsulfamoylphenyl-sulfonyl)-N'-(4-methoxy-6-dimethylthiocarbamoylthiomethyl-pyrimidin-2-yl)-urea
Database identifiers
- PubChem CID
- 20070845
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 918
Related reactions
6 records
Compound notes
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