Compound Identification
SMILES
CC1=C(Br)C=CC(NC(=S)NC(=O)C=CC2=CC=C(O2)C2=C(Cl)C(Cl)=CC=C2)=C1
InChIKey
InChIKey=VVDAGXVUFSHKAV-UHFFFAOYSA-N
Formula
C21H15BrCl2N2O2S
Mass
510.23
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
Dichlorobenzenes Toluenes Bromobenzenes Aryl bromides Aryl chlorides Furans Heteroaromatic compounds Thioureas Oxacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - 1,2-dichlorobenzene - Bromobenzene - Chlorobenzene - Toluene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Thiourea - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organobromide - Organochloride - Organonitrogen 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