Compound Identification
SMILES
COC1=CC=CC=C1NC(=S)N[C@@H](NC(=O)N1CCOCC1)C(Cl)(Cl)Cl
InChIKey
InChIKey=CANVSCHOJOFINX-LBPRGKRZSA-N
Formula
C15H19Cl3N4O3S
Mass
441.75
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
Methoxyanilines Morpholine carboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Ureas Thioureas Tertiary amines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Alkyl chlorides Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Morpholine-4-carboxylic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Urea - Thiourea - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen 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