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N-[(3-chloro-1-benzothien-2-yl)carbonyl]-N'-(2,5-dimethoxyphenyl)thiourea

View entire compound with spectra: 2 NMR

N-[(3-chloro-1-benzothien-2-yl)carbonyl]-N'-(2,5-dimethoxyphenyl)thiourea
SpectraBase Compound ID 2TqBJO3QfzG
InChI InChI=1S/C18H15ClN2O3S2/c1-23-10-7-8-13(24-2)12(9-10)20-18(25)21-17(22)16-15(19)11-5-3-4-6-14(11)26-16/h3-9H,1-2H3,(H2,20,21,22,25)
InChIKey HEETYSPKFHIKQV-UHFFFAOYSA-N
Mol Weight 406.9 g/mol
Molecular Formula C18H15ClN2O3S2
Exact Mass 406.021262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8971HfT57Vi
Name N-[(3-Chloro-1-benzothien-2-yl)carbonyl]-N'-(2,5-dimethoxyphenyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 406.021262396 u
Formula C18H15ClN2O3S2
InChI InChI=1S/C18H15ClN2O3S2/c1-23-10-7-8-13(24-2)12(9-10)20-18(25)21-17(22)16-15(19)11-5-3-4-6-14(11)26-16/h3-9H,1-2H3,(H2,20,21,22,25)
InChIKey HEETYSPKFHIKQV-UHFFFAOYSA-N
Molecular Weight 406.902 g/mol
SMILES N(C(C=1SC=2C=CC=CC2C1Cl)=O)C(NC1=CC(OC)=CC=C1OC)=S