Compound Identification
SMILES
COC1=CC=CC=C1\C=C\C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC1=C(C)C=C(C)C=C1
InChIKey
InChIKey=GIXGSNHLYIGMHG-OQLLNIDSSA-N
Formula
C25H25N3O4S2
Mass
495.61
Taxonomic Classification
Taxonomy Tree
-
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
Coumaric acids and derivatives Benzenesulfonamides Sulfanilides Benzenesulfonyl compounds Anisoles m-Xylenes Styrenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Coumaric acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - M-xylene - Xylene - Methoxybenzene - Phenoxy compound - Phenol ether - Styrene - Anisole - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic 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