Compound Identification
SMILES
CC1=CC(C)=C(NC(=S)NC(NC(=O)C2=CC=CC=C2Br)C(Cl)(Cl)Cl)C=C1
InChIKey
InChIKey=AIFCUKYFNOOMCD-UHFFFAOYSA-N
Formula
C18H17BrCl3N3OS
Mass
509.67
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-halobenzoic acids and derivatives Benzamides m-Xylenes Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Thioureas Secondary carboxylic acid amides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Alkyl chlorides Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - M-xylene - Xylene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Alkyl chloride - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Aromatic homomonocyclic 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