Compound Identification
SMILES
CC1=COC(NC(=S)NC2=C(C)C=C(Cl)C=C2)=N1
InChIKey
InChIKey=ZELXMAUSSVCKFV-UHFFFAOYSA-N
Formula
C12H12ClN3OS
Mass
281.76
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
Toluenes Chlorobenzenes 2,4-disubstituted oxazoles Aryl chlorides Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - 2,4-disubstituted 1,3-oxazole - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Oxazole - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen 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