Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1C(=S)N[C@@H](C2=CC(F)=CC=C2)C(C(=O)OC)=C1C
InChIKey
InChIKey=CERGDTYUMUGMMA-IBGZPJMESA-N
Formula
C21H21FN2O3S
Mass
400.47
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
Hydropyrimidine carboxylic acids and derivatives Phenoxy compounds Phenol ethers Pyrimidinethiones 2-Thiopyrimidines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous amides Methyl esters Enoate esters Thioureas Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Hydropyrimidine carboxylic acid derivative - Phenoxy compound - Phenol ether - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Fluorobenzene - Halobenzene - Pyrimidinethione - Aryl fluoride - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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