Compound Identification
SMILES
COC1=CC2=C(NC(C)=C2CCN(CC2=CC=CO2)C(=S)NC2=CC=CC(C)=C2C)C=C1
InChIKey
InChIKey=BHNVOFMHCLOMEU-UHFFFAOYSA-N
Formula
C26H29N3O2S
Mass
447.6
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
3-alkylindoles Alkaloids and derivatives o-Xylenes Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - 3-alkylindole - Indole - Indole or derivatives - Alkaloid or derivatives - Anisole - O-xylene - Xylene - Phenol ether - Alkyl aryl ether - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Furan - Thiourea - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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