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N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide

View entire compound with spectra: 2 NMR

N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
SpectraBase Compound ID Du3DMV1L7Yr
InChI InChI=1S/C24H21N3O2S2/c1-16-7-5-6-10-19(16)23(29)26-18-11-12-20-21(13-18)31-24(27-20)30-15-22(28)25-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKey SIUUYCCJGSHQET-UHFFFAOYSA-N
Mol Weight 447.57 g/mol
Molecular Formula C24H21N3O2S2
Exact Mass 447.107519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18ikyccMV5D
Name N-(2-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 447.107519274 u
Formula C24H21N3O2S2
InChI InChI=1S/C24H21N3O2S2/c1-16-7-5-6-10-19(16)23(29)26-18-11-12-20-21(13-18)31-24(27-20)30-15-22(28)25-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKey SIUUYCCJGSHQET-UHFFFAOYSA-N
Molecular Weight 447.571 g/mol
SMILES N(C(C=1C(C)=CC=CC1)=O)C=1C=CC=2N=C(SCC(NCC3=CC=CC=C3)=O)SC2C1