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2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxyanilino)carbothioyl]amino}ethyl)acetamide

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2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxyanilino)carbothioyl]amino}ethyl)acetamide
SpectraBase Compound ID 5XjMQ89XVAZ
InChI InChI=1S/C24H22Cl3N3O2S/c1-32-19-15-9-8-14-18(19)28-23(33)30-22(24(25,26)27)29-21(31)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20,22H,1H3,(H,29,31)(H2,28,30,33)
InChIKey ROHABERSSGHSFK-UHFFFAOYSA-N
Mol Weight 522.88 g/mol
Molecular Formula C24H22Cl3N3O2S
Exact Mass 521.049831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQKy4jzEq5y
Name 2,2-Diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxyanilino)carbothioyl]amino}ethyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.049831232 u
Formula C24H22Cl3N3O2S
InChI InChI=1S/C24H22Cl3N3O2S/c1-32-19-15-9-8-14-18(19)28-23(33)30-22(24(25,26)27)29-21(31)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20,22H,1H3,(H,29,31)(H2,28,30,33)
InChIKey ROHABERSSGHSFK-UHFFFAOYSA-N
SMILES N(C(NC(NC=1C(OC)=CC=CC1)=S)C(Cl)(Cl)Cl)C(C(C1=CC=CC=C1)C=1C=CC=CC1)=O