Structure Information
Structure

Compound Identification

SMILES

[Gd+3].OC(=O)CN1CCN(CC(O)=O)CCN(CCN(CC(O)=O)CC1)C1=CC=C(NC(=S)NCCC(CNC(=S)NC2=CC=C(C=C2)N2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)CNC(=S)NC2=CC=C(C=C2)N2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C=C1

InChIKey

InChIKey=LLJMBVCTIUTQHM-UHFFFAOYSA-N

Formula

C68H102GdN18O18S3

Mass

1713.1

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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

Alpha-amino acid - Alpha-amino acid or derivatives - N-phenylthiourea - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Tertiary amine - Thiourea - Tertiary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic cation - 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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