Compound Identification
SMILES
CCC(C)C1=CC2=C(OC(=N2)C2=CC=C(NC(=S)NC(=O)C3=C(Cl)C4=CC=CC=C4S3)C=C2)C=C1
InChIKey
InChIKey=RTBGEGLWYWNAAB-UHFFFAOYSA-N
Formula
C27H22ClN3O2S2
Mass
520.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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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-acyl-phenylthioureas
Alternative Parents
Phenyl-1,3-oxazoles 1-benzothiophenes Benzoxazoles Thiophene carboxamides Aryl chlorides Vinylogous halides Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Benzothiophene - Benzoxazole - 1-benzothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Oxazole - Azole - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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