Compound Identification
SMILES
CSC1=CC=CC=C1NC(=S)N1CCCN(CC2=CC=C(C=C2)S(C)(=O)=O)CC1
InChIKey
InChIKey=GCDNLMXFAMTDMO-UHFFFAOYSA-N
Formula
C21H27N3O2S3
Mass
449.65
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
Benzenesulfonyl compounds Thiophenol ethers Phenylmethylamines Benzylamines Aralkylamines Alkylarylthioethers 1,4-diazepanes Sulfones Trialkylamines Thioureas Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Benzenesulfonyl group - Aryl thioether - Benzylamine - Phenylmethylamine - Thiophenol ether - 1,4-diazepane - Diazepane - Aralkylamine - Alkylarylthioether - Sulfone - Sulfonyl - Tertiary amine - Thiourea - Tertiary aliphatic amine - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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