Compound Identification
SMILES
COC1=CC=C(CC(=O)NC(NC(=S)NC2=C(Br)C=C(Br)C=C2C)C(Cl)(Cl)Cl)C=C1
InChIKey
InChIKey=NPXWHEKAIFUZQW-UHFFFAOYSA-N
Formula
C19H18Br2Cl3N3O2S
Mass
618.59
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
Phenylacetamides Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Toluenes Bromobenzenes Aryl bromides Thioureas Secondary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylacetamide - N-phenylthiourea - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiourea - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organosulfur compound - Alkyl halide - Alkyl chloride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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