Compound Identification
SMILES
CC1=CC(NC(=S)NC2=CC=C(OCC3=NC4=C(N3)C=C(Cl)C=C4)C=C2)=CC=C1
InChIKey
InChIKey=YHLZTQHBEMGKQS-UHFFFAOYSA-N
Formula
C22H19ClN4OS
Mass
422.93
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
Benzimidazoles Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Aryl chlorides Imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Imidazole - Thiourea - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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