Compound Identification
SMILES
COC1=CC=C(C[NH+]2CCCN(CC2)C(=O)C2=C(Cl)C3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=ZHAXWLUKDWANMV-UHFFFAOYSA-O
Formula
C22H24ClN2O2S
Mass
415.96
Taxonomic Classification
Taxonomy Tree
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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-benzothiophenes
Alternative Parents
2-heteroaryl carboxamides Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Thiophene carboxamides Alkyl aryl ethers 1,4-diazepanes Aralkylamines Aryl chlorides Heteroaromatic compounds Quaternary ammonium salts Tertiary carboxylic acid amides Vinylogous halides Amino acids and derivatives Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxamide - Phenoxy compound - Thiophene carboxylic acid or derivatives - Anisole - Phenylmethylamine - Phenol ether - Benzylamine - Methoxybenzene - 1,4-diazepane - Alkyl aryl ether - Diazepane - Aralkylamine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Quaternary ammonium salt - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organohalogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Amine - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available