Compound Identification
SMILES
OCC1=CC=C(O1)C1=CC(NC(=S)NC(=O)C2=CC=C(O2)C2=CC=C(Cl)C=C2)=CC=C1
InChIKey
InChIKey=BGWPQTHWDZUMMO-UHFFFAOYSA-N
Formula
C23H17ClN2O4S
Mass
452.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Furoic acid and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioureas Oxacyclic compounds Carboxylic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Furoic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Thiourea - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available