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Methyl 2-{[(2-furoylamino)carbothioyl]amino}-4-(4-methylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID Gl2qoDCqhbU
InChI InChI=1S/C19H16N2O4S2/c1-11-5-7-12(8-6-11)13-10-27-17(15(13)18(23)24-2)21-19(26)20-16(22)14-4-3-9-25-14/h3-10H,1-2H3,(H2,20,21,22,26)
InChIKey SWFCFZRNXIIINK-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C19H16N2O4S2
Exact Mass 400.055149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeieLNUBOKl
Name Methyl 2-{[(2-furoylamino)carbothioyl]amino}-4-(4-methylphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 400.055149347 u
Formula C19H16N2O4S2
InChI InChI=1S/C19H16N2O4S2/c1-11-5-7-12(8-6-11)13-10-27-17(15(13)18(23)24-2)21-19(26)20-16(22)14-4-3-9-25-14/h3-10H,1-2H3,(H2,20,21,22,26)
InChIKey SWFCFZRNXIIINK-UHFFFAOYSA-N
Molecular Weight 400.467 g/mol
SMILES N(C1=C(C(C=2C=CC(=CC2)C)=CS1)C(=O)OC)C(NC(C=1OC=CC1)=O)=S