Compound Identification
SMILES
O=C(NC1CN2CCC1CC2)C1=CC2=C(S1)C=C(C=C2)C#N
InChIKey
InChIKey=JMNVWUTWLGTPOP-UHFFFAOYSA-N
Formula
C17H17N3OS
Mass
311.4
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-benzothiophenes
Alternative Parents
Thiophene carboxamides Quinuclidines 2-heteroaryl carboxamides 2,3,5-trisubstituted thiophenes Piperidines Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Quinuclidine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - 2-heteroaryl carboxamide - Benzenoid - Piperidine - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Nitrile - Azacycle - Carbonitrile - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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