Compound Identification
SMILES
OCC1=CC=C(O1)C1=CC=C(NC(=S)NC(=O)C2=CC(Cl)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=FITFHFQAYZMFJH-UHFFFAOYSA-N
Formula
C19H14Cl2N2O3S
Mass
421.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Dichlorobenzenes Aryl chlorides Furans Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organonitrogen compounds Organopnictogen compounds Aromatic alcohols Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Thiourea - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Organonitrogen compound - Organopnictogen compound - Alcohol - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Primary alcohol - Aromatic alcohol - 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