Structure Information
Structure

Compound Identification

SMILES

[Br-].CCCNC(=S)NC1=CC=CC(C[N+]2=CC=C(C=C2)C2=CN=C(O2)C2=CC3=C(OCCC3)C=C2)=C1

InChIKey

InChIKey=NPAUWCIQPIRNRT-UHFFFAOYSA-N

Formula

C28H29BrN4O2S

Mass

565.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylthioureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Chromane - Benzopyran - N-phenylthiourea - 1-benzopyran - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Pyridine - Pyridinium - Azole - Heteroaromatic compound - Oxazole - Thiourea - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic bromide salt - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.

External Descriptors

Not available

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