Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=CC=CC(=C1)C1=NC2=C(O1)C=CC1=CC=CC=C21
InChIKey
InChIKey=BDZFUVOXKFTZHF-UHFFFAOYSA-N
Formula
C29H18BrN3O3S
Mass
568.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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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-acyl-phenylthioureas
Alternative Parents
Phenyl-1,3-oxazoles Naphthalenes Benzoxazoles Furoic acid and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Naphthalene - Benzoxazole - Furoic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Furan - Heteroaromatic compound - Oxazole - Thiourea - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available