Compound Identification
SMILES
COC1=CC=C(C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC2=NC=CN=C2OC)C=C1
InChIKey
InChIKey=KXSWPUSNEYBZIU-UHFFFAOYSA-N
Formula
C22H21N5O5S2
Mass
499.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
Subclass
N-phenylthioureas
-
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-acyl-phenylthioureas
Alternative Parents
Cinnamic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Styrenes Phenoxy compounds Methoxypyrazines Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Anisole - Phenoxy compound - Methoxypyrazine - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Imidolactam - Organosulfonic acid amide - Pyrazine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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