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N-(5-{[2-(acetylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide

View entire compound with spectra: 2 NMR

N-(5-{[2-(acetylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SpectraBase Compound ID BvSOyXedwu4
InChI InChI=1S/C15H13N5O3S4/c1-8(21)16-11(22)6-25-15-20-19-13(27-15)18-12(23)7-24-14-17-9-4-2-3-5-10(9)26-14/h2-5H,6-7H2,1H3,(H,16,21,22)(H,18,19,23)
InChIKey NXTANOVKWDJILR-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C15H13N5O3S4
Exact Mass 438.990124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwHlP1FWlcI
Name N-(5-{[2-(Acetylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.990123992 u
Formula C15H13N5O3S4
InChI InChI=1S/C15H13N5O3S4/c1-8(21)16-11(22)6-25-15-20-19-13(27-15)18-12(23)7-24-14-17-9-4-2-3-5-10(9)26-14/h2-5H,6-7H2,1H3,(H,16,21,22)(H,18,19,23)
InChIKey NXTANOVKWDJILR-UHFFFAOYSA-N
Molecular Weight 439.541 g/mol
SMILES N(C(CSC=1SC(=NN1)NC(=O)CSC1=NC=2C=CC=CC2S1)=O)C(=O)C