Compound Identification
SMILES
IC1=CC=CC(=C1)C(=O)NC(=S)NC1=CC=C(CN2CCCC2)C=C1
InChIKey
InChIKey=IYTYRVHPMDYUET-UHFFFAOYSA-N
Formula
C19H20IN3OS
Mass
465.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
Subclass
N-phenylthioureas
-
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-acyl-phenylthioureas
Alternative Parents
3-halobenzoic acids and derivatives Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Iodobenzenes Aryl iodides N-alkylpyrrolidines Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organoiodides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenylmethylamine - Benzoyl - Benzylamine - Iodobenzene - Aralkylamine - Halobenzene - Aryl halide - Aryl iodide - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Thiourea - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available