4,4'-methylenebis[thiocarbanilic acid], S,S'-dipropyl ester

SpectraBase Compound ID	5kW2fNEaNOc
InChI	InChI=1S/C21H26N2O2S2/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	CUDYMQSQAMATES-UHFFFAOYSA-N Google Search
Mol Weight	402.57 g/mol
Molecular Formula	C21H26N2O2S2
Exact Mass	402.14357 g/mol

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SpectraBase Spectrum ID	FavAzPnkxMt
Name	4,4'-Methylenebis[thiocarbanilic acid], S,S'-dipropyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	402.143570431 u
Formula	C21H26N2O2S2
InChI	InChI=1S/C21H26N2O2S2/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	CUDYMQSQAMATES-UHFFFAOYSA-N
Molecular Weight	402.571 g/mol
SMILES	N(C1=CC=C(CC=2C=CC(=CC2)NC(SCCC)=O)C=C1)C(SCCC)=O
Spectrum/Structure Validation Score (Raman)	0.840305