Compound Identification
SMILES
CN(CC(=O)N1CC[NH+](CC2=CC=CC(C)=C2)CC1)C(=S)NC1=CC=CC(C)=C1
InChIKey
InChIKey=ZLUHYNFZNQUFGR-UHFFFAOYSA-O
Formula
C23H31N4OS
Mass
411.59
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 and derivatives Phenylmethylamines Benzylamines Toluenes N-alkylpiperazines Aralkylamines Tertiary carboxylic acid amides Quaternary ammonium salts Trialkylamines Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylthiourea - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - Toluene - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - 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