Compound Identification
SMILES
COC1=CC=CC2=C1OC1(C)C(C2NC(=S)N1C1=CC=C(F)C=C1)C(=O)OCC=C
InChIKey
InChIKey=ZNRWQALSZIMNCI-UHFFFAOYSA-N
Formula
C22H21FN2O4S
Mass
428.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
1-benzopyrans Anisoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Diazinanes Thioureas Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromane - Benzopyran - 1-benzopyran - N-phenylthiourea - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,3-diazinane - Carboxylic acid ester - Thiourea - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available