Basic information
- CAS
67817-56-5- Standard SMILES
COc1cc(C#N)c(NC(=S)N2CCN(C(=O)c3ccco3)CC2)cc1OC- InChIKey
ILZRBDINNIEUIY-UHFFFAOYSA-N- Molecular formula
- C19H20N4O4S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.12052631
Names & identifiers
- Preferred name
- 1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-
- IUPAC
- N-(2-cyano-4,5-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide
Names & synonyms
67817-56-51-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-N-(2-cyano-4,5-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamideNSC3475091F4QZL80IKMLS003171054NSC-347509N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamideN-(2-Cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-1-piperazinecarbothioamideNSC 347509UNII-1F4QZL80IKCHEMBL2132643
Show more names
DTXSID60218068SMR001874963DS-001837
Database identifiers
- CAS
67817-56-5- PubChem CID
- 3000987
- DTXSID
DTXSID60218068- ChEMBL
CHEMBL2132643- UNII
- 1F4QZL80IK
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…