Compound Identification
SMILES
COC1=C(CCC2=C(C=CS2)C(=O)NC(N)=NCCCN2CCCC2)C=C(Br)C=C1
InChIKey
InChIKey=OAAHDFJFRRIJBC-UHFFFAOYSA-N
Formula
C22H29BrN4O2S
Mass
493.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Thiophenes
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Subclass
Thiophene carboxylic acids and derivatives
- Level 5 Thiophene carboxamides
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Subclass
Thiophene carboxylic acids and derivatives
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Class
Thiophenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxamides
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes N-alkylpyrrolidines Aryl bromides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anisole - Phenoxy compound - Phenol ether - Thiophene carboxamide - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - N-alkylpyrrolidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Guanidine - Amino acid or derivatives - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
External Descriptors
Not available