Basic information
- CAS
130818-06-3- Standard SMILES
O=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1- InChIKey
CPYKJTUVPPZYJY-UHFFFAOYSA-N- Molecular formula
- C17H13N3OS
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.07793322
Names & identifiers
- Preferred name
- N-benzoyl-N'-(8-quinolinyl)thiourea
- IUPAC
- N-(quinolin-8-ylcarbamothioyl)benzamide
Names & synonyms
130818-06-3N-benzoyl-N'-(8-quinolinyl)thioureaN-(quinolin-8-ylcarbamothioyl)benzamideBenzamide, N-[(8-quinolinylamino)thioxomethyl]-HMS2187L09MFCD01568682SMR000179258MLS000326723CHEMBL1481343SCHEMBL12747952DTXSID90393731FFA81806
Show more names
N-(8-quinolylcarbamothioyl)benzamideN-Benzoyl-N-(8-quinolinyl)thiourea1-benzoyl-3-(quinolin-8-yl)thioureaAKOS005096408N-[(Quinolin-8-yl)carbamothioyl]benzamide6N-056PHENYL-N-((8-QUINOLYLAMINO)THIOXOMETHYL)FORMAMIDE
Database identifiers
- CAS
130818-06-3- PubChem CID
- 3567992
- DTXSID
DTXSID90393731- ChEMBL
CHEMBL1481343
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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