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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(NC(=O)CCN2C(=S)SC(=CC3=CC=CC=C3)C2=O)C=C1

InChIKey

InChIKey=AFFGHMHKALWNGZ-UHFFFAOYSA-N

Formula

C20H18N2O2S2

Mass

382.5

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Taxonomic Classification

Taxonomy Tree

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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Anilide - N-arylamide - Toluene - Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Thiazolidine - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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