N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(4-methylbenzoyl)thiourea

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Systematic / IUPAC Name: N-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)carbamothioyl]-4-methylbenzamide

ID: Reference5605

Other Names: Benzamide, N-({[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}thioxomethyl)-4-methyl-

Formula: C18H18N2O3S

Spectral Data

N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(4-methylbenzoyl)thiourea 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 2
No. of Spectra 216
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/13/2016 11:44:17 AM
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Identificators

InChI InChI=1S/C18H18N2O3S/c1-12-6-8-13(9-7-12)17(21)20-18(24)19-10-14-11-22-15-4-2-3-5-16(15)23-14/h2-9,14H,10-11H2,1H3,(H2,19,20,21,24)
InChI Key OZWPDDIBWGQDBZ-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)NC(=S)NCC2COC3=CC=CC=C3O2
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Other Names Benzamide, N-({[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}thioxomethyl)-4-methyl-

In Other Databases

ChemSpider 2099978
PubChem 2821756