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Ethyl 5-benzyl-2-({[(4-fluorobenzyl)amino]carbothioyl}amino)-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 5-benzyl-2-({[(4-fluorobenzyl)amino]carbothioyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID KCWD10oCR2g
InChI InChI=1S/C22H21FN2O2S2/c1-2-27-21(26)19-13-18(12-15-6-4-3-5-7-15)29-20(19)25-22(28)24-14-16-8-10-17(23)11-9-16/h3-11,13H,2,12,14H2,1H3,(H2,24,25,28)
InChIKey XTYHUVPMGUOJPN-UHFFFAOYSA-N
Mol Weight 428.54 g/mol
Molecular Formula C22H21FN2O2S2
Exact Mass 428.102848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPOpjft1POZ
Name Ethyl 5-benzyl-2-({[(4-fluorobenzyl)amino]carbothioyl}amino)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 428.102848433 u
Formula C22H21FN2O2S2
InChI InChI=1S/C22H21FN2O2S2/c1-2-27-21(26)19-13-18(12-15-6-4-3-5-7-15)29-20(19)25-22(28)24-14-16-8-10-17(23)11-9-16/h3-11,13H,2,12,14H2,1H3,(H2,24,25,28)
InChIKey XTYHUVPMGUOJPN-UHFFFAOYSA-N
Molecular Weight 428.540 g/mol
SMILES N(C1=C(C=C(S1)CC1=CC=CC=C1)C(=O)OCC)C(=S)NCC=1C=CC(=CC1)F