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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N1N=C(C2=NN=C(NC3=CC=CC=C3)S2)C2=CSC(NC(=S)NC3=CC=CC=C3)=C2C1=O

InChIKey

InChIKey=QMPDOEPBUJKROH-UHFFFAOYSA-N

Formula

C28H21N7O2S3

Mass

583.7

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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

N-phenylthiourea - Thieno[3,4-d]pyridazine - Thienopyridazine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Pyridazinone - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Pyridazine - Vinylogous amide - Azole - Heteroaromatic compound - Thiadiazole - Thiophene - Lactam - Thiourea - Organoheterocyclic compound - Ether - Azacycle - Secondary amine - Amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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