Structure Information
Structure

Compound Identification

SMILES

CN(C)C(=O)[C@H]1[C@@H]2NC(=S)N(C3=CC=CC=C3)[C@@]1(C)OC1=C2C=C(Cl)C=C1

InChIKey

InChIKey=IKUHSDFBEYRHHM-HLIPFELVSA-N

Formula

C20H20ClN3O2S

Mass

401.91

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Chromane - Benzopyran - N-phenylthiourea - 1-benzopyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Tertiary carboxylic acid amide - Thiourea - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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