Compound Identification
SMILES
COC1=CC=CC(NC(=S)N2CC[NH+](CC3=CC=C(Cl)S3)CC2)=C1
InChIKey
InChIKey=YZNYCORTRUACFN-UHFFFAOYSA-O
Formula
C17H21ClN3OS2
Mass
382.94
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 Anisoles Phenoxy compounds Methoxybenzenes 2,5-disubstituted thiophenes Alkyl aryl ethers Aralkylamines N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Thioureas Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-alkylpiperazine - 2,5-disubstituted thiophene - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Heteroaromatic compound - Quaternary ammonium salt - Thiophene - Tertiary aliphatic amine - Thiourea - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organic cation - 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