Compound Identification
SMILES
CCCCCC(O)=O.CC(C)N1CCC(CC1)C1=CNC2=C1N=C(NC(=S)NC1=C(Br)C(Br)=CC=C1)C=C2
InChIKey
InChIKey=DPXGFJWOTCRSIP-UHFFFAOYSA-N
Formula
C28H37Br2N5O2S
Mass
667.51
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
Pyrrolopyridines Medium-chain fatty acids Aralkylamines Bromobenzenes Substituted pyrroles Straight chain fatty acids Pyridines and derivatives Piperidines Aryl bromides Imidolactams Heteroaromatic compounds Trialkylamines Thioureas Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
N-phenylthiourea - Pyrrolopyridine - Medium-chain fatty acid - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Pyridine - Fatty acyl - Fatty acid - Piperidine - Imidolactam - Straight chain fatty acid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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