Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=C(I)C=C(Br)C=C1
InChIKey
InChIKey=UAJCGZIDQBWGTD-UHFFFAOYSA-N
Formula
C18H11BrIN3O4S
Mass
572.17
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Nitrobenzenes Nitroaromatic compounds Furancarboxamides Iodobenzenes Bromobenzenes N-acyl amines Heteroaromatic compounds Vinyl iodides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Iodoalkenes Carboxylic acid amides Bromoalkenes Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organobromides Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - Furancarboxamide - Iodobenzene - Halobenzene - Bromobenzene - N-acyl-amine - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Carboxamide group - Oxacycle - Iodoalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl bromide - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organobromide - Organic hyponitrite - Organohalogen compound - Aromatic heteromonocyclic 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