Compound Identification
SMILES
CN1C(C)=C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)C2=CC=CC=C12
InChIKey
InChIKey=YUBPPZIHWNLLIA-UHFFFAOYSA-N
Formula
C21H16ClN3O2S
Mass
409.89
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
N-alkylindoles Indoles Thiobarbituric acid derivatives Chlorobenzenes N-methylpyrroles Diazinanes Aryl chlorides Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - N-phenylthiourea - Indole - Thiobarbiturate - Indole or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-diazinane - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organohalogen compound - Organochloride - 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