Compound Identification
SMILES
COC1=C(OC)C=C(CCN(CC2=CC=C(C)S2)C(=O)CN(C2CC2)C(=O)NC2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=KRIAFDCCGFXZDZ-UHFFFAOYSA-N
Formula
C28H32BrN3O4S
Mass
586.55
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
Alpha amino acids and derivatives Dimethoxybenzenes Phenoxy compounds Anisoles 2,5-disubstituted thiophenes Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylurea - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - 2,5-disubstituted thiophene - Bromobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Urea - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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