Compound Identification
SMILES
OC(=O)C1=CC(Br)=CC(Br)=C1NC(=S)NC(=O)COC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BWJZKJNNQQNKRQ-UHFFFAOYSA-N
Formula
C16H11Br2N3O6S
Mass
533.15
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
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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
Nitrophenyl ethers 3-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous amides Thioureas Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organobromides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrophenyl ether - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Nitrobenzene - Benzoic acid or derivatives - Benzoic acid - Phenol ether - Phenoxy compound - Nitroaromatic compound - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Vinylogous amide - Organic nitro compound - C-nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic cation - Aromatic homomonocyclic 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