Compound Identification
SMILES
CC1=CC=CC(C)=C1NC(=S)N(CCC1=CC=CC=C1)CC1=CC=CN1CC1=C(Cl)C=C(F)C=C1
InChIKey
InChIKey=MEXVLUIZNALBAW-UHFFFAOYSA-N
Formula
C29H29ClFN3S
Mass
506.08
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
m-Xylenes Fluorobenzenes Chlorobenzenes Substituted pyrroles Aryl fluorides Aryl chlorides Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - M-xylene - Xylene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Azacycle - Organoheterocyclic compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - 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