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=C(Cl)C3=CC=CC=C3S2)C=CC(Br)=C1
InChIKey
InChIKey=UNDGCAFGXGSTEG-UHFFFAOYSA-N
Formula
C37H26BrClN2O5S
Mass
726.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
-
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 2-heteroaryl carboxamides Thiophene carboxamides Benzoyl derivatives Phenoxy compounds Phenol ethers Bromobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Vinylogous halides Vinylogous amides Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene-2-carboxanilide - Phenylalanine or derivatives - Aromatic anilide - Hippuric acid or derivatives - Hippuric acid - Diphenylether - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Biphenyl - Diaryl ether - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Aryl chloride - Thiophene - Vinylogous amide - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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