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Ethyl 5-benzyl-2-[(4-morpholinylcarbothioyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID FhU4U4FMAvC
InChI InChI=1S/C19H22N2O3S2/c1-2-24-18(22)16-13-15(12-14-6-4-3-5-7-14)26-17(16)20-19(25)21-8-10-23-11-9-21/h3-7,13H,2,8-12H2,1H3,(H,20,25)
InChIKey XICIBGUKVHDRMT-UHFFFAOYSA-N
Mol Weight 390.52 g/mol
Molecular Formula C19H22N2O3S2
Exact Mass 390.107185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPbGW2TqXBH
Name Ethyl 5-benzyl-2-[(4-morpholinylcarbothioyl)amino]-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 390.107184921 u
Formula C19H22N2O3S2
InChI InChI=1S/C19H22N2O3S2/c1-2-24-18(22)16-13-15(12-14-6-4-3-5-7-14)26-17(16)20-19(25)21-8-10-23-11-9-21/h3-7,13H,2,8-12H2,1H3,(H,20,25)
InChIKey XICIBGUKVHDRMT-UHFFFAOYSA-N
Molecular Weight 390.516 g/mol
SMILES N(C1=C(C=C(S1)CC1=CC=CC=C1)C(=O)OCC)C(N1CCOCC1)=S