Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C1=NC(=S)N(C2=CC=C(Cl)C=C2)C(NC(=S)NC2=CC=CC=C2)=N1

InChIKey

InChIKey=CXVLQVMRUJUJTO-UHFFFAOYSA-N

Formula

C22H15ClN6O2S2

Mass

494.97

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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 heteromonocyclic compounds

Substituents

N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Amino-1,3,5-triazine - Chlorobenzene - Halobenzene - Triazinethione - 1,3,5-triazine - Aryl halide - Triazine - Aryl chloride - Heteroaromatic compound - Organic nitro compound - Thiourea - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic 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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