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N-(3-chlorobenzoyl)-N'-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea

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N-(3-chlorobenzoyl)-N'-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea
SpectraBase Compound ID 711CMp1Ojmh
InChI InChI=1S/C22H15Cl2N3O2S/c1-12-5-8-19-18(9-12)25-21(29-19)14-6-7-16(24)17(11-14)26-22(30)27-20(28)13-3-2-4-15(23)10-13/h2-11H,1H3,(H2,26,27,28,30)
InChIKey DOMNHIZAJYDSTF-UHFFFAOYSA-N
Mol Weight 456.35 g/mol
Molecular Formula C22H15Cl2N3O2S
Exact Mass 455.026203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ch55CXNrbvD
Name N-(3-Chlorobenzoyl)-N'-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea
Comments Computed using HOSE algorithm
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Exact Mass 455.026203307 u
Formula C22H15Cl2N3O2S
InChI InChI=1S/C22H15Cl2N3O2S/c1-12-5-8-19-18(9-12)25-21(29-19)14-6-7-16(24)17(11-14)26-22(30)27-20(28)13-3-2-4-15(23)10-13/h2-11H,1H3,(H2,26,27,28,30)
InChIKey DOMNHIZAJYDSTF-UHFFFAOYSA-N
Molecular Weight 456.347 g/mol
SMILES N(C(NC(C=1C=C(Cl)C=CC1)=O)=S)C=1C=C(C2=NC3=C(C=CC(=C3)C)O2)C=CC1Cl