Compound Identification
SMILES
S=C(NCC1CC2CCC(C1)N2CC1COC2=CC=CC=C2O1)NC1=CC=CC=C1
InChIKey
InChIKey=NNJNBPCVWORJGZ-UHFFFAOYSA-N
Formula
C24H29N3O2S
Mass
423.58
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
Benzo-1,4-dioxanes Tropane alkaloids Alkyl aryl ethers Piperidines Para dioxins N-alkylpyrrolidines Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - N-phenylthiourea - Tropane alkaloid - Alkyl aryl ether - Para-dioxin - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Thiourea - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - 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