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Ethyl 4-({[(4-isopropoxybenzoyl)amino]carbothioyl}amino)benzoate

View entire compound with spectra: 2 NMR

Ethyl 4-({[(4-isopropoxybenzoyl)amino]carbothioyl}amino)benzoate
SpectraBase Compound ID 8EEJX2F54Y
InChI InChI=1S/C20H22N2O4S/c1-4-25-19(24)15-5-9-16(10-6-15)21-20(27)22-18(23)14-7-11-17(12-8-14)26-13(2)3/h5-13H,4H2,1-3H3,(H2,21,22,23,27)
InChIKey RUTFVFDCLNIHFR-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C20H22N2O4S
Exact Mass 386.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPuR9GoyH9o
Name Ethyl 4-({[(4-isopropoxybenzoyl)amino]carbothioyl}amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 386.130028366 u
Formula C20H22N2O4S
InChI InChI=1S/C20H22N2O4S/c1-4-25-19(24)15-5-9-16(10-6-15)21-20(27)22-18(23)14-7-11-17(12-8-14)26-13(2)3/h5-13H,4H2,1-3H3,(H2,21,22,23,27)
InChIKey RUTFVFDCLNIHFR-UHFFFAOYSA-N
Molecular Weight 386.466 g/mol
SMILES N(C(=O)C1=CC=C(C=C1)OC(C)C)C(NC1=CC=C(C=C1)C(OCC)=O)=S