Compound Identification
SMILES
CC1=C(C)C(NC(=S)N2CC[NH+](CC3=CC4=C(OCO4)C=C3)CC2)=CC=C1
InChIKey
InChIKey=ICRMOLQZTVKSSG-UHFFFAOYSA-O
Formula
C21H26N3O2S
Mass
384.52
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
Benzodioxoles o-Xylenes N-alkylpiperazines Aralkylamines Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Benzodioxole - O-xylene - Xylene - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary amine - Thiourea - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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