Compound Identification
SMILES
COC1=CC=C(NC(=S)N[C@@H](C[NH+]2CCOCC2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=NCVMFPDXECIKMM-IBGZPJMESA-O
Formula
C20H26N3O2S
Mass
372.51
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 Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Morpholines Quaternary ammonium salts Trialkylamines Thioureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Morpholine - Oxazinane - Quaternary ammonium salt - Tertiary amine - Thiourea - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Oxacycle - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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