Compound Identification
SMILES
CC(=O)N1CCCN(CC1)C(=S)NC1=CC=C(Cl)C=C1
InChIKey
InChIKey=MDDQQEOZLRMDHF-UHFFFAOYSA-N
Formula
C14H18ClN3OS
Mass
311.83
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
Chlorobenzenes 1,4-diazepanes Aryl chlorides Tertiary carboxylic acid amides Acetamides Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - 1,4-diazepane - Chlorobenzene - Diazepane - Halobenzene - Aryl chloride - Aryl halide - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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