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Methyl 5-ethyl-2-[({[2-(4-methoxyphenyl)ethyl]amino}carbothioyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID 1M2jRLlDRqz
InChI InChI=1S/C18H22N2O3S2/c1-4-14-11-15(17(21)23-3)16(25-14)20-18(24)19-10-9-12-5-7-13(22-2)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,19,20,24)
InChIKey FDQREVHKVQIGRS-UHFFFAOYSA-N
Mol Weight 378.51 g/mol
Molecular Formula C18H22N2O3S2
Exact Mass 378.107185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Qo3JuH2ypa
Name Methyl 5-ethyl-2-[({[2-(4-methoxyphenyl)ethyl]amino}carbothioyl)amino]-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 378.107184921 u
Formula C18H22N2O3S2
InChI InChI=1S/C18H22N2O3S2/c1-4-14-11-15(17(21)23-3)16(25-14)20-18(24)19-10-9-12-5-7-13(22-2)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,19,20,24)
InChIKey FDQREVHKVQIGRS-UHFFFAOYSA-N
Molecular Weight 378.505 g/mol
SMILES N(C1=C(C=C(S1)CC)C(=O)OC)C(=S)NCCC1=CC=C(C=C1)OC