Compound Identification
SMILES
COC1=CC=C(NC(=O)C2=C(C)N=C3SCCCN3C2C2=CC(NC(=O)C3=CC(Br)=CC=C3)=CC=C2)C=C1
InChIKey
InChIKey=PDDWNFRZMXSIGA-UHFFFAOYSA-N
Formula
C29H27BrN4O3S
Mass
591.52
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
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides
Direct Parent
Benzanilides
Alternative Parents
3-halobenzoic acids and derivatives Methoxyanilines Benzamides Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Thiazinanes Hydropyrimidines Aryl bromides Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Hydrocarbon derivatives Organic oxides Organobromides Amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzanilide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Methoxyaniline - Methoxybenzene - Anisole - N-arylamide - Phenoxy compound - Phenol ether - Benzoyl - Halobenzene - Alkyl aryl ether - Bromobenzene - Aryl bromide - Aryl halide - Hydropyrimidine - 1,6-dihydropyrimidine - 1,3-thiazinane - Isothiourea - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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