Structure Information
Structure

Compound Identification

SMILES

COCCOCN1C=CN=C1C1CCN(CC1)C(=S)NC1=C(C)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=SEXJZQKFWLNXQN-UHFFFAOYSA-N

Formula

C20H27N5O4S

Mass

433.53

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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 heteromonocyclic compounds

Substituents

N-phenylthiourea - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - N-substituted imidazole - Piperidine - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - Thiourea - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - 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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