Compound Identification
SMILES
ClC1=C(NC(=S)N2CCCN(CC3=CSC=C3)CC2)C=CC(Br)=C1
InChIKey
InChIKey=COINJEYWXNXBFK-UHFFFAOYSA-N
Formula
C17H19BrClN3S2
Mass
444.83
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
Chlorobenzenes Bromobenzenes Aralkylamines 1,4-diazepanes Aryl chlorides Aryl bromides Thiophenes Heteroaromatic compounds Trialkylamines Thioureas Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - 1,4-diazepane - Aralkylamine - Bromobenzene - Chlorobenzene - Diazepane - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Thiourea - Tertiary amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - 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