Compound Identification
SMILES
COC(=O)C1=C(C)N(C(=S)N[C@@H]1C1=CC(OC)=C(O)C=C1)C1=C(C)C=CC(C)=C1
InChIKey
InChIKey=KQRAATRCFLAIDR-HXUWFJFHSA-N
Formula
C22H24N2O4S
Mass
412.5
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
Methoxyphenols Hydropyrimidine carboxylic acids and derivatives Anisoles p-Xylenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 2-Thiopyrimidines 1-hydroxy-2-unsubstituted benzenoids Pyrimidinethiones Methyl esters Vinylogous amides Enoate esters Thioureas Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methoxyphenol - N-phenylthiourea - Hydropyrimidine carboxylic acid derivative - Phenoxy compound - Anisole - P-xylene - Xylene - Methoxybenzene - Phenol ether - Alkyl aryl ether - 2-thiopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Thiopyrimidine - Phenol - Pyrimidinethione - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Methyl ester - Thiourea - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen 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