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4-[({[(2E)-3-phenyl-2-propenoyl]amino}carbothioyl)amino]-1,1'-biphenyl
SpectraBase Compound ID EJapd6SlSxS
InChI InChI=1S/C22H18N2OS/c25-21(16-11-17-7-3-1-4-8-17)24-22(26)23-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16H,(H2,23,24,25,26)/b16-11+
InChIKey KUVGAWLYJLGENW-LFIBNONCSA-N
Mol Weight 358.46 g/mol
Molecular Formula C22H18N2OS
Exact Mass 358.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Z8s301fPWV
Name 4-[({[(2E)-3-phenyl-2-propenoyl]amino}carbothioyl)amino]-1,1'-biphenyl
Comments Computed using HOSE algorithm
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Exact Mass 358.113984381 u
Formula C22H18N2OS
InChI InChI=1S/C22H18N2OS/c25-21(16-11-17-7-3-1-4-8-17)24-22(26)23-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16H,(H2,23,24,25,26)/b16-11+
InChIKey KUVGAWLYJLGENW-LFIBNONCSA-N
SMILES N(C(NC=1C=CC(C2=CC=CC=C2)=CC1)=S)C(\C=C\C1=CC=CC=C1)=O