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1-{4-[(p-Chlorophenyl)sulfonyl]-3-thienyl}-3-phenylurea
SpectraBase Compound ID 6TEsMl1rOHV
InChI InChI=1S/C17H13ClN2O3S2/c18-12-6-8-14(9-7-12)25(22,23)16-11-24-10-15(16)20-17(21)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,21)
InChIKey XGNBXJMOQBRSDO-UHFFFAOYSA-N
Mol Weight 392.88 g/mol
Molecular Formula C17H13ClN2O3S2
Exact Mass 392.005612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHetIIXcgvo
Name 1-{4-[(p-Chlorophenyl)sulfonyl]-3-thienyl}-3-phenylurea
Comments Computed using HOSE algorithm
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Exact Mass 392.005612332 u
Formula C17H13ClN2O3S2
InChI InChI=1S/C17H13ClN2O3S2/c18-12-6-8-14(9-7-12)25(22,23)16-11-24-10-15(16)20-17(21)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,21)
InChIKey XGNBXJMOQBRSDO-UHFFFAOYSA-N
Molecular Weight 392.875 g/mol
SMILES N(C1=CC=CC=C1)C(NC=1C(=CSC1)S(=O)(=O)C=1C=CC(=CC1)Cl)=O