Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(=C1)C(=O)NC1=C(C=C(Br)C=C1)C1=NC2=CC=CC=C2S1)N1CCCCC1
InChIKey
InChIKey=RRBQHXVYNQTWOS-UHFFFAOYSA-N
Formula
C25H21BrN4O3S
Mass
537.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Anilides
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Level 5
Aromatic anilides
- Level 6 Benzanilides
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Level 5
Aromatic anilides
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Subclass
Anilides
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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
Anilides
Intermediate Tree Nodes
Aromatic anilides
Direct Parent
Benzanilides
Alternative Parents
Phenylpiperidines Aminobenzoic acids and derivatives Benzamides Benzothiazoles Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Bromobenzenes Aryl bromides Heteroaromatic compounds Thiazoles Amino acids and derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzanilide - Phenylpiperidine - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Piperidine - Azole - Thiazole - Heteroaromatic compound - Tertiary amine - Carboxamide group - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organohalogen compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors
Not available