Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CNC(=O)C2=CSC(=N2)C2CCN(CC2)C(=S)NC2=CC=C(C=C2)N(C)C)C=C1

InChIKey

InChIKey=MFXAZTTUMSFZOU-UHFFFAOYSA-N

Formula

C27H33N5O3S2

Mass

539.71

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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 - O-dimethoxybenzene - Dimethoxybenzene - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Tertiary aliphatic/aromatic amine - Thiazolecarboxamide - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Piperidine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxide - 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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