Basic information
- Standard SMILES
NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1- InChIKey
QRTAGMMRFSBEMX-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O2S
- Average molar mass
- 333.8 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Chlorobenzoyl)carbamothioylamino]benzamide
- IUPAC
- 2-[(4-chlorobenzoyl)carbamothioylamino]benzamide
Names & synonyms
2-[(4-chlorobenzoyl)carbamothioylamino]benzamideSCHEMBL9729151QRTAGMMRFSBEMX-UHFFFAOYSA-NSTK864074AKOS001402381AB00114383-01SR-01000240390SR-01000240390-1Z56071719N-[(2-carbamoylphenyl)carbamothioyl]-4-chlorobenzamideN-[[[2-(Aminocarbonyl)phenyl]amino]thioxomethyl]-4-chlorobenzamide134690-65-6
Database identifiers
- PubChem CID
- 667641
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
4 records
Compound notes
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