Compound Identification
SMILES
ClC(Cl)(Cl)C(NC(=S)NC1=CC=C(Br)C=C1)NC(=O)C1=CC=CO1
InChIKey
InChIKey=URBKLXNUNAPKRD-UHFFFAOYSA-N
Formula
C14H11BrCl3N3O2S
Mass
471.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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-phenylthioureas
Alternative Parents
2-heteroaryl carboxamides Furoic acid and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Alkyl chlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - 2-heteroaryl carboxamide - Furoic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Furan - Heteroaromatic compound - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available