Basic information
- Standard SMILES
Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1- InChIKey
YYCWFIXNKFGYRI-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.0884979
Names & identifiers
- Preferred name
- N-[(2-carbamoylphenyl)carbamothioyl]-4-methylbenzamide
- IUPAC
- 2-[(4-methylbenzoyl)carbamothioylamino]benzamide
Names & synonyms
SCHEMBL9728569YYCWFIXNKFGYRI-UHFFFAOYSA-NSTK864067AKOS001402375AB00114532-01SR-01000240472SR-01000240472-1Z56071739N-[(2-carbamoylphenyl)carbamothioyl]-4-methylbenzamide2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzamideN-[[[2-(Aminocarbonyl)phenyl]amino]thioxomethyl]-4-methylbenzamide
Database identifiers
- PubChem CID
- 667640
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Related reactions
4 records
Compound notes
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