Compound Identification
SMILES
COC1=CC=CC2=C1OC1(C)C(C2NC(=S)N1C1=CC=C(C)C=C1)C(=O)N(C)C
InChIKey
InChIKey=JZAMSWHCCIEYQP-UHFFFAOYSA-N
Formula
C22H25N3O3S
Mass
411.52
Taxonomic Classification
Taxonomy Tree
-
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
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
N-phenylthioureas 1-benzopyrans Anisoles Toluenes Alkyl aryl ethers Diazinanes Tertiary carboxylic acid amides Thioureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylthiourea - Chromane - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Tertiary carboxylic acid amide - Thiourea - Carboxamide group - Ether - Azacycle - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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