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Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-isobutyl-3-thiophenecarboxylate

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Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-isobutyl-3-thiophenecarboxylate
SpectraBase Compound ID 2bYZRklPWAr
InChI InChI=1S/C19H22N2O3S2/c1-4-24-18(23)15-14(10-12(2)3)11-26-17(15)21-19(25)20-16(22)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H2,20,21,22,25)
InChIKey UXZYMUOFSVWQAY-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 VDM7ULTtVu
Name Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-isobutyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.107184921 u
Formula C19H22N2O3S2
InChI InChI=1S/C19H22N2O3S2/c1-4-24-18(23)15-14(10-12(2)3)11-26-17(15)21-19(25)20-16(22)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H2,20,21,22,25)
InChIKey UXZYMUOFSVWQAY-UHFFFAOYSA-N
Molecular Weight 390.516 g/mol
SMILES N(C1=C(C(CC(C)C)=CS1)C(=O)OCC)C(NC(=O)C1=CC=CC=C1)=S