Compound Identification
SMILES
COCCCNC(=O)C1=CSC(CN(CCCOC)C(=O)NC2=CC=CC=C2Br)=N1
InChIKey
InChIKey=VGCOXLFFOZNEBM-UHFFFAOYSA-N
Formula
C20H27BrN4O4S
Mass
499.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Thiazolecarboxamides 2-heteroaryl carboxamides Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Urea - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available