Compound Identification
SMILES
COC1=CC=CC(=C1)N1C(=S)NC(=O)\C(=C/N[C@@H]2CCCC[C@H]2N)C1=O
InChIKey
InChIKey=BSCUFYBPWHGEKW-RTZSPXFWSA-N
Formula
C18H22N4O3S
Mass
374.46
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
Thiobarbituric acid derivatives Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Cyclohexylamines Diazinanes Vinylogous amides Thioureas Amino acids and derivatives Allylamines Azacyclic compounds Enamines Dialkylamines Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Methoxyaniline - Thiobarbiturate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Cyclohexylamine - 1,3-diazinane - Vinylogous amide - Amino acid or derivatives - Thiourea - Carboxylic acid derivative - Allylamine - Secondary aliphatic amine - Enamine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - 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