Compound Identification
SMILES
COC1=CC(CCNC(=S)NC2=CC=C(Br)C=C2)=C(OC)C=C1
InChIKey
InChIKey=ZZEXEETXUILZND-UHFFFAOYSA-N
Formula
C17H19BrN2O2S
Mass
395.32
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
Dimethoxybenzenes Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Thioureas Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - P-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Thiourea - Ether - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic 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