Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(OC(F)F)C=CC(NC(=S)NC(=O)C2=CC=C(OC)C=C2)=C1)C(=O)OCC
InChIKey
InChIKey=VEWXJYOZMZSTEN-UHFFFAOYSA-N
Formula
C29H31F2N3O7S
Mass
603.64
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Benzoic acids and derivatives Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Thioureas Enamines Dialkylamines Azacyclic compounds Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Ether - Amine - Organooxygen compound - Organosulfur compound - Organofluoride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available