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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Alpha amino acids Dialkylarylamines Aniline and substituted anilines Trialkylamines Thioureas Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
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