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N-(2,4-dichlorophenyl)-N'-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
SpectraBase Compound ID 39biQMD7aEZ
InChI InChI=1S/C18H16Cl2N4OS/c1-2-13(11-6-4-3-5-7-11)16-23-24-18(26-16)22-17(25)21-15-9-8-12(19)10-14(15)20/h3-10,13H,2H2,1H3,(H2,21,22,24,25)
InChIKey POZSFSBCZKXTAN-UHFFFAOYSA-N
Mol Weight 407.32 g/mol
Molecular Formula C18H16Cl2N4OS
Exact Mass 406.042188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8czIkvZl51f
Name N-(2,4-Dichlorophenyl)-N'-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
Comments Computed using HOSE algorithm
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Exact Mass 406.042187724 u
Formula C18H16Cl2N4OS
InChI InChI=1S/C18H16Cl2N4OS/c1-2-13(11-6-4-3-5-7-11)16-23-24-18(26-16)22-17(25)21-15-9-8-12(19)10-14(15)20/h3-10,13H,2H2,1H3,(H2,21,22,24,25)
InChIKey POZSFSBCZKXTAN-UHFFFAOYSA-N
Molecular Weight 407.319 g/mol
SMILES N(C=1SC(=NN1)C(C1=CC=CC=C1)CC)C(NC=1C(=CC(=CC1)Cl)Cl)=O