Carbamimidothioic acid, [[(4-chlorobenzoyl)amino](phenylamino)methylene]phenyl-, methyl ester

SpectraBase Compound ID	82aXU40MNHs
InChI	InChI=1S/C22H19ClN4OS/c1-29-22(25-19-10-6-3-7-11-19)27-21(24-18-8-4-2-5-9-18)26-20(28)16-12-14-17(23)15-13-16/h2-15H,1H3,(H2,24,25,26,27,28)
InChIKey	QZGHKCWPBHANRV-UHFFFAOYSA-N Google Search
Mol Weight	422.93 g/mol
Molecular Formula	C22H19ClN4OS
Exact Mass	422.09681 g/mol

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SpectraBase Spectrum ID	5dYb5MncCSu
Name	Carbamimidothioic acid, [[(4-chlorobenzoyl)amino](phenylamino)methylene]phenyl-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	422.096810121 u
Formula	C22H19ClN4OS
InChI	InChI=1S/C22H19ClN4OS/c1-29-22(25-19-10-6-3-7-11-19)27-21(24-18-8-4-2-5-9-18)26-20(28)16-12-14-17(23)15-13-16/h2-15H,1H3,(H2,24,25,26,27,28)
InChIKey	QZGHKCWPBHANRV-UHFFFAOYSA-N
Molecular Weight	422.934 g/mol
SMILES	C1=CC=CC(=C1)N\C(=N\C(=O)C1=CC=C(Cl)C=C1)\N=C/(SC)NC=1C=CC=CC1