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acetamide, 2-[[(1,4-dihydro-4-oxo-2-quinazolinyl)methyl]thio]-N-(2-methoxyphenyl)-
SpectraBase Compound ID 99IhxdagKXG
InChI InChI=1S/C18H17N3O3S/c1-24-15-9-5-4-8-14(15)20-17(22)11-25-10-16-19-13-7-3-2-6-12(13)18(23)21-16/h2-9H,10-11H2,1H3,(H,20,22)(H,19,21,23)
InChIKey KRUWYHHFUCYFAL-UHFFFAOYSA-N
Mol Weight 355.41 g/mol
Molecular Formula C18H17N3O3S
Exact Mass 355.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OT24sRYmpL
Name Acetamide, 2-[[(1,4-dihydro-4-oxo-2-quinazolinyl)methyl]thio]-N-(2-methoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 355.099062590 u
Formula C18H17N3O3S
InChI InChI=1S/C18H17N3O3S/c1-24-15-9-5-4-8-14(15)20-17(22)11-25-10-16-19-13-7-3-2-6-12(13)18(23)21-16/h2-9H,10-11H2,1H3,(H,20,22)(H,19,21,23)
InChIKey KRUWYHHFUCYFAL-UHFFFAOYSA-N
Molecular Weight 355.412 g/mol
SMILES N(C(CSCC=1NC2=CC=CC=C2C(N1)=O)=O)C=1C(OC)=CC=CC1