1-Benzothiophen-2-yl[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone

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Systematic / IUPAC Name: 1-Benzothiophen-2-yl[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone

ID: Reference3775

Other Names: Methanone, benzo[b]thien-2-yl[4-(6-chloro-2-benzothiazolyl)hexahydro-1H-1,4-diazepin-1-yl]-

Formula: C21H18ClN3OS2

Spectral Data

1-Benzothiophen-2-yl[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/10/2016 8:34:19 AM
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Identificators

InChI InChI=1S/C21H18ClN3OS2/c22-15-6-7-16-18(13-15)28-21(23-16)25-9-3-8-24(10-11-25)20(26)19-12-14-4-1-2-5-17(14)27-19/h1-2,4-7,12-13H,3,8-11H2
InChI Key CXZLPYMOESSCIY-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)C4=NC5=C(S4)C=C(C=C5)Cl
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Other Names Methanone, benzo[b]thien-2-yl[4-(6-chloro-2-benzothiazolyl)hexahydro-1H-1,4-diazepin-1-yl]-

In Other Databases

PubChem 2810550
ChemSpider 2088966