Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

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

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