Compound Identification
SMILES
BrC1=CC=CC(=C1)N1C(=S)NC(=O)C(=CC2=CN(CC#N)C3=CC=CC=C23)C1=O
InChIKey
InChIKey=JFCQKMRTGVEOQA-UHFFFAOYSA-N
Formula
C21H13BrN4O2S
Mass
465.33
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
N-alkylindoles Thiobarbituric acid derivatives Indoles Bromobenzenes Substituted pyrroles Aryl bromides Diazinanes Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Nitriles Carbonyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - N-phenylthiourea - Indole - Indole or derivatives - Thiobarbiturate - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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