Compound Identification
SMILES
[O-][N+](=O)C1=C(NCC2=CC=CC=C2)C=C(C=C1)N1CCN(CC1)C1=NC(=CS1)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=IIEPNFPKAYUMOV-UHFFFAOYSA-N
Formula
C30H27N5O2S
Mass
521.64
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
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
N-arylpiperazines Phenylpiperazines Naphthalenes Nitrobenzenes Aniline and substituted anilines Benzylamines Dialkylarylamines Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzamine - N-arylpiperazine - Phenylpiperazine - Naphthalene - Nitrobenzene - Nitroaromatic compound - Benzylamine - Tertiary aliphatic/aromatic amine - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Secondary aliphatic/aromatic amine - Aralkylamine - 1,4-diazinane - Piperazine - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Azole - Tertiary amine - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Amine - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available