Compound Identification
SMILES
OC1=C(Br)C=C(C=C1Br)C(=O)NN=CC1C(=O)NC(=S)N(C1=O)C1=CC=CC=C1
InChIKey
InChIKey=QNJLPGAFPHKGCU-UHFFFAOYSA-N
Formula
C18H12Br2N4O4S
Mass
540.19
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
3-halobenzoic acids and derivatives Thiobarbituric acid derivatives O-bromophenols Benzoyl derivatives Bromobenzenes Diazinanes Aryl bromides 1,3-dicarbonyl compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - N-phenylthiourea - Benzoic acid or derivatives - Thiobarbiturate - Benzoyl - 2-halophenol - 2-bromophenol - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - 1,3-diazinane - 1,3-dicarbonyl compound - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen 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