Compound Identification
SMILES
ClC1=C(SC2=CC=CC=C12)C(=O)NCC(=O)NN=CC1=CC=CC=C1OCC#C
InChIKey
InChIKey=WORMIQFQTVNDCX-UHFFFAOYSA-N
Formula
C21H16ClN3O3S
Mass
425.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
1-benzothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Acetylides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzothiophene - 1-benzothiophene - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Phenoxy compound - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Acetylide - Organoheterocyclic compound - Ether - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available