Compound Identification
SMILES
[Br-].CCCNC(=S)NC1=CC=CC(C[N+]2=CC=C(C=C2)C2=CN=C(O2)C2=CC3=C(OCCC3)C=C2)=C1
InChIKey
InChIKey=NPAUWCIQPIRNRT-UHFFFAOYSA-N
Formula
C28H29BrN4O2S
Mass
565.53
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
1-benzopyrans Alkyl aryl ethers 2,5-disubstituted oxazoles Pyridinium derivatives Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromane - Benzopyran - N-phenylthiourea - 1-benzopyran - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Pyridine - Pyridinium - Azole - Heteroaromatic compound - Oxazole - Thiourea - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic bromide salt - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - 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