Compound Identification
SMILES
ClC1=CC=CC(C2=CC=C(O2)C=CC(=O)NC(=S)NC2=C(C=C(Br)C=C2)C2=NC3=CC=CC=C3S2)=C1Cl
InChIKey
InChIKey=UDOSLFWXVOSPTA-UHFFFAOYSA-N
Formula
C27H16BrCl2N3O2S2
Mass
629.37
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
Benzothiazoles Dichlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Thiazoles Furans Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - 1,3-benzothiazole - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Thiazole - Furan - Heteroaromatic compound - Azole - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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