Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)C(=NNC2=CC=C(Br)C=C2)C(=O)N(C1=S)C1=CC=CC=C1
InChIKey
InChIKey=HEAZOSQOYXAOJU-UHFFFAOYSA-N
Formula
C23H17BrN4O3S
Mass
509.38
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 Methoxyanilines Phenylhydrazines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Diazinanes Thioureas Hydrazones Carboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Methoxyaniline - Thiobarbiturate - Phenoxy compound - Anisole - Methoxybenzene - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3-diazinane - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Hydrazone - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen 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