Compound Identification
SMILES
CCCCCCCCC(CC(C)C1(CC)SC(CC)C(CC)N1C(=S)NC1=CC(Br)=CC=C1)C(C)C
InChIKey
InChIKey=NTZYMRWVBFLGEU-UHFFFAOYSA-N
Formula
C31H53BrN2S2
Mass
597.8
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
Bromobenzenes Aryl bromides Thiazolidines Thioureas Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiazolidine - Thiourea - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Hemithioaminal - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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