Basic information
- Standard SMILES
O=C(NC(=O)c1ccccc1)NC1CCC(=O)c2sccc21- InChIKey
UJGWLUKHEMVJFT-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.07251349
Names & identifiers
- Preferred name
- 1-Benzoyl-3-(4,5,6,7-tetrahydro-7-oxobenzo[b]-thien-4-yl)urea
- IUPAC
- N-[(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)carbamoyl]benzamide
Names & synonyms
SCHEMBL11260675UJGWLUKHEMVJFT-UHFFFAOYSA-N1-Benzoyl-3-(4,5,6,7-tetrahydro-7-oxobenzo[b]-thien-4-yl)urea
Database identifiers
- PubChem CID
- 13037014
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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