Compound Identification
SMILES
CC1=CC(C)=C(CN2C=CC=C2CN(CCC2=CC=C(Cl)C=C2)C(=S)NC2=CC(C)=C(C)C=C2)C=C1
InChIKey
InChIKey=ZTUQKSZOLULGAB-UHFFFAOYSA-N
Formula
C31H34ClN3S
Mass
516.14
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
o-Xylenes m-Xylenes Chlorobenzenes Substituted pyrroles Aryl chlorides Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - O-xylene - M-xylene - Xylene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - 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