Basic information
- Standard SMILES
Cc1sc(NC(=S)NC(=O)c2ccccc2)c(C#N)c1C- InChIKey
ZTHSZRWHXPFGAR-UHFFFAOYSA-N- Molecular formula
- C15H13N3OS2
- Average molar mass
- 315.4 g/mol
Names & identifiers
- Preferred name
- N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea
- IUPAC
- N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]benzamide
Names & synonyms
N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thioureaN-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]benzamideZTHSZRWHXPFGAR-UHFFFAOYSA-NMLS000549494SCHEMBL1620406CHEMBL1723759HMS2378B08STL015889AKOS003594585SMR000114609AJ-292/40515342N-(3-cyano-4,5-dimethylthiophen-2-ylcarbamothioyl)benzamide
Database identifiers
- PubChem CID
- 899430
- ChEMBL
CHEMBL1723759
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 453
Related reactions
13 records
Compound notes
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