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Acetamide, N-[4-[[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]sulfonyl]phenyl]-
SpectraBase Compound ID LWShPg2S2UD
InChI InChI=1S/C22H19N3O3S2/c1-14-3-12-20-21(13-14)29-22(24-20)16-4-6-18(7-5-16)25-30(27,28)19-10-8-17(9-11-19)23-15(2)26/h3-13,25H,1-2H3,(H,23,26)
InChIKey XHYMIULQBXHUKY-UHFFFAOYSA-N
Mol Weight 437.53 g/mol
Molecular Formula C22H19N3O3S2
Exact Mass 437.086784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6TdTZ95BCI
Name Acetamide, N-[4-[[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]sulfonyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 437.086783829 u
Formula C22H19N3O3S2
InChI InChI=1S/C22H19N3O3S2/c1-14-3-12-20-21(13-14)29-22(24-20)16-4-6-18(7-5-16)25-30(27,28)19-10-8-17(9-11-19)23-15(2)26/h3-13,25H,1-2H3,(H,23,26)
InChIKey XHYMIULQBXHUKY-UHFFFAOYSA-N
Molecular Weight 437.532 g/mol
SMILES CC=1C=C2SC(C3=CC=C(NS(C=4C=CC(NC(=O)C)=CC4)(=O)=O)C=C3)=NC2=CC1