Compound Identification
SMILES
CN1CCSC(C1)C1=CC=C(NC2=NC=C3C=C(C#CC4CCN(CC4)S(C)(=O)=O)C(=O)N(CC4=NC=CN=C4Cl)C3=N2)C=C1
InChIKey
InChIKey=AFEXPXJUGGBSBN-UHFFFAOYSA-N
Formula
C31H33ClN8O3S2
Mass
665.23
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Thiazinanes
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Subclass
Thiomorpholines
- Level 5 Phenylthiomorpholines
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Subclass
Thiomorpholines
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Class
Thiazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiazinanes
Subclass
Thiomorpholines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylthiomorpholines
Alternative Parents
Pyrido[2,3-d]pyrimidines Aniline and substituted anilines Aminopyrimidines and derivatives Pyridinones Aralkylamines Pyrazines Aryl chlorides Organic sulfonamides Organosulfonamides Piperidines Heteroaromatic compounds Sulfonyls Lactams Trialkylamines Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylthiomorpholine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - Pyridinone - Aralkylamine - Pyridine - Pyrazine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Piperidine - Aryl chloride - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Dialkylthioether - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
External Descriptors
Not available