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2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide
SpectraBase Compound ID AbAz0j6TutW
InChI InChI=1S/C20H22N2O2S2/c1-4-24-16-9-10-17-18(11-16)26-20(22-17)25-12-19(23)21-15-7-5-14(6-8-15)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,23)
InChIKey WAMBIOSVXWXKDC-UHFFFAOYSA-N
Mol Weight 386.53 g/mol
Molecular Formula C20H22N2O2S2
Exact Mass 386.11227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5f8FXBuCZx
Name 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 386.112270302 u
Formula C20H22N2O2S2
InChI InChI=1S/C20H22N2O2S2/c1-4-24-16-9-10-17-18(11-16)26-20(22-17)25-12-19(23)21-15-7-5-14(6-8-15)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,23)
InChIKey WAMBIOSVXWXKDC-UHFFFAOYSA-N
Molecular Weight 386.528 g/mol
SMILES C1(=NC=2C=CC(=CC2S1)OCC)SCC(NC=1C=CC(=CC1)C(C)C)=O