Compound Identification
SMILES
C[C@@H](NC(=S)NC1=C(C)C=CC(C)=C1)[C@@H]([NH+]1CCOCC1)C1=CC=CS1
InChIKey
InChIKey=BYQUCLIJNMMBOX-VQIMIIECSA-O
Formula
C20H28N3OS2
Mass
390.58
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
p-Xylenes Aralkylamines Morpholines Thiophenes Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Thioureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - P-xylene - Xylene - Aralkylamine - Morpholine - Oxazinane - Heteroaromatic compound - Quaternary ammonium salt - Thiophene - Tertiary amine - Thiourea - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen 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