Compound Identification
SMILES
[O-][N+](=O)C1=C(C=C(C=C1)N1CCN(CC1)C(=S)NC(=O)C1=CC=C(I)C=C1)N1CCOCC1
InChIKey
InChIKey=YJPCDQLQHKRJPU-UHFFFAOYSA-N
Formula
C22H24IN5O4S
Mass
581.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
- Level 5 Phenylpiperazines
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Subclass
Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines Phenylmorpholines 4-halobenzoic acids and derivatives Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Iodobenzenes Aryl iodides Thioureas Amino acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmorpholine - Phenylpiperazine - N-arylpiperazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Iodobenzene - Benzenoid - Morpholine - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Oxazinane - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Thiourea - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organic oxoazanium - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organopnictogen compound - Amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available