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N-(4-anilinophenyl)-N'-{2-[(4-chlorophenyl)sulfanyl]ethyl}thiourea

View entire compound with spectra: 2 NMR

N-(4-anilinophenyl)-N'-{2-[(4-chlorophenyl)sulfanyl]ethyl}thiourea
SpectraBase Compound ID 1yeAg0VRPAQ
InChI InChI=1S/C21H20ClN3S2/c22-16-6-12-20(13-7-16)27-15-14-23-21(26)25-19-10-8-18(9-11-19)24-17-4-2-1-3-5-17/h1-13,24H,14-15H2,(H2,23,25,26)
InChIKey NHBHEUTWDSDTMF-UHFFFAOYSA-N
Mol Weight 413.99 g/mol
Molecular Formula C21H20ClN3S2
Exact Mass 413.078718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Co0tlbS53ca
Name N-(4-Anilinophenyl)-N'-{2-[(4-chlorophenyl)sulfanyl]ethyl}thiourea
Comments Computed using HOSE algorithm
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Exact Mass 413.078717704 u
Formula C21H20ClN3S2
InChI InChI=1S/C21H20ClN3S2/c22-16-6-12-20(13-7-16)27-15-14-23-21(26)25-19-10-8-18(9-11-19)24-17-4-2-1-3-5-17/h1-13,24H,14-15H2,(H2,23,25,26)
InChIKey NHBHEUTWDSDTMF-UHFFFAOYSA-N
Molecular Weight 413.985 g/mol
SMILES N(C(=S)NCCSC1=CC=C(C=C1)Cl)C=1C=CC(NC2=CC=CC=C2)=CC1