Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1C(=O)C(=NNC2=CC=CC=C2Cl)C(=O)N(C1=S)C1=CC=C(Br)C=C1
InChIKey
InChIKey=BMWIRZFRJCIRRY-UHFFFAOYSA-N
Formula
C24H18BrClN4O3S
Mass
557.85
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
Thiobarbituric acid derivatives Phenylhydrazines Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Diazinanes Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrazones Hydrocarbon derivatives Organochlorides Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Phenoxy compound - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - 1,3-diazinane - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Hydrazone - Organooxygen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - 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