Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=C(Cl)C=C(Cl)C(=C1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=URTRWMCKSVONOT-UHFFFAOYSA-N
Formula
C27H19Cl2N3O2S2
Mass
552.49
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 o-Xylenes Dichlorobenzenes Furoic acid and derivatives Aryl chlorides Thiazoles Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - 1,3-benzothiazole - Furoic acid or derivatives - 1,3-dichlorobenzene - Xylene - O-xylene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiazole - Furan - Azole - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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