Compound Identification
SMILES
CC1=C(CN2CCCN(CC2)C(=S)NC2=C(Cl)C=C(Br)C=C2)C(C)=NO1
InChIKey
InChIKey=HPBQTIBBMKPIJM-UHFFFAOYSA-N
Formula
C18H22BrClN4OS
Mass
457.82
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
1,4-diazepanes Aralkylamines Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Isoxazoles Heteroaromatic compounds Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - 1,4-diazepane - Aralkylamine - Bromobenzene - Chlorobenzene - Diazepane - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Isoxazole - Tertiary aliphatic amine - Thiourea - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organobromide - Organohalogen 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