Compound Identification
SMILES
OC(=O)C(CC1=CC=C(C=C1)C1=CC=CC=C1OC1=CC=CC=C1)NC(=O)C1=C(NC(=O)C2=CC3=CC=CC=C3S2)C=CC(Br)=C1
InChIKey
InChIKey=XXAUJJSWUMRPBZ-UHFFFAOYSA-N
Formula
C37H27BrN2O5S
Mass
691.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophene-2-carboxanilides
Alternative Parents
Phenylalanine and derivatives Aromatic anilides Diphenylethers Hippuric acids N-acyl-alpha amino acids Biphenyls and derivatives Phenylpropanoic acids Diarylethers 3-halobenzoic acids and derivatives Amphetamines and derivatives Phenol ethers Phenoxy compounds 2-heteroaryl carboxamides Benzoyl derivatives 2,3,5-trisubstituted thiophenes Thiophene carboxamides Bromobenzenes Aryl bromides Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene-2-carboxanilide - Phenylalanine or derivatives - Aromatic anilide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Diphenylether - Hippuric acid - Hippuric acid or derivatives - Biphenyl - Diaryl ether - 3-phenylpropanoic-acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Amphetamine or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Benzoyl - Phenol ether - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Vinylogous amide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophene-2-carboxanilides. These are aromatic heteropolycyclic compounds that contain a 1-benzothiophene ring system, which is substituted with an anilide at the 2-position.
External Descriptors
Not available