Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CC[NH+](CC2=CC=CC=C2)CC1

InChIKey

InChIKey=JMIZDLIDNDWMPQ-UHFFFAOYSA-O

Formula

C27H31N4O3S

Mass

491.63

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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-acyl-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Anisole - Benzoyl - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Aralkylamine - N-alkylpiperazine - Alkyl aryl ether - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.

External Descriptors

Not available

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