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N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-N'-phenylurea

View entire compound with spectra: 2 NMR

N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-N'-phenylurea
SpectraBase Compound ID 8OZRQIN2eH
InChI InChI=1S/C15H13N3O3S2/c1-23(20,21)11-7-8-12-13(9-11)22-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKey VREFMESYBWMUQI-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C15H13N3O3S2
Exact Mass 347.039834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xf7nui3OZE
Name N-[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]-N'-phenylurea
Comments Computed using HOSE algorithm
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Exact Mass 347.039833636 u
Formula C15H13N3O3S2
InChI InChI=1S/C15H13N3O3S2/c1-23(20,21)11-7-8-12-13(9-11)22-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKey VREFMESYBWMUQI-UHFFFAOYSA-N
Molecular Weight 347.407 g/mol
SMILES N(C(=O)NC=1SC=2C=C(S(=O)(=O)C)C=CC2N1)C1=CC=CC=C1