Compound Identification
SMILES
CSC1=C(C=CC(CN2CCCN(CC(=O)NC3=CC=C(F)C=C3)CC2)=N1)C#N
InChIKey
InChIKey=FTDHJWBZSVAOTB-UHFFFAOYSA-N
Formula
C21H24FN5OS
Mass
413.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
6-substituted-2-pyridinylmethylamines Anilides 3-pyridinecarbonitriles N-arylamides 1,4-diazepanes Alkylarylthioethers Aralkylamines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - 6-substituted-2-pyridinylmethylamine - Anilide - 2-pyridylmethylamine - Aryl thioether - N-arylamide - 3-pyridinecarbonitrile - 1,4-diazepane - Diazepane - Fluorobenzene - Halobenzene - Alkylarylthioether - Aralkylamine - Aryl fluoride - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Amine - Organic nitrogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available