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N-(4-{[(4-methoxyanilino)carbothioyl]amino}phenyl)acetamide

View entire compound with spectra: 3 NMR

N-(4-{[(4-methoxyanilino)carbothioyl]amino}phenyl)acetamide
SpectraBase Compound ID lEtW0tXTjV
InChI InChI=1S/C16H17N3O2S/c1-11(20)17-12-3-5-13(6-4-12)18-16(22)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,17,20)(H2,18,19,22)
InChIKey BOISRWYWGUXGRG-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C16H17N3O2S
Exact Mass 315.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3ZuieSpEKn
Name N-(4-{[(4-methoxyanilino)carbothioyl]amino}phenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 315.104147971 u
Formula C16H17N3O2S
InChI InChI=1S/C16H17N3O2S/c1-11(20)17-12-3-5-13(6-4-12)18-16(22)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,17,20)(H2,18,19,22)
InChIKey BOISRWYWGUXGRG-UHFFFAOYSA-N
Molecular Weight 315.391 g/mol
SMILES N(C(NC=1C=CC(NC(=O)C)=CC1)=S)C=1C=CC(=CC1)OC