cyclohexanecarboxamide, N-[1-[[(3,4-dimethoxyphenyl)amino]carbonyl]-3-(methylthio)propyl]-4-methyl-

SpectraBase Compound ID	5rMB07L6dXx
InChI	InChI=1S/C21H32N2O4S/c1-14-5-7-15(8-6-14)20(24)23-17(11-12-28-4)21(25)22-16-9-10-18(26-2)19(13-16)27-3/h9-10,13-15,17H,5-8,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKey	YQMNZYRHRNIEAA-UHFFFAOYSA-N Google Search
Mol Weight	408.6 g/mol
Molecular Formula	C21H32N2O4S
Exact Mass	408.208279 g/mol

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SpectraBase Spectrum ID	UTzeuAFQlJ
Name	Cyclohexanecarboxamide, N-[1-[[(3,4-dimethoxyphenyl)amino]carbonyl]-3-(methylthio)propyl]-4-methyl-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	408.208278688 u
Formula	C21H32N2O4S
InChI	InChI=1S/C21H32N2O4S/c1-14-5-7-15(8-6-14)20(24)23-17(11-12-28-4)21(25)22-16-9-10-18(26-2)19(13-16)27-3/h9-10,13-15,17H,5-8,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKey	YQMNZYRHRNIEAA-UHFFFAOYSA-N
Molecular Weight	408.557 g/mol
SMILES	N(C(C1CCC(CC1)C)=O)C(C(NC=1C=C(OC)C(=CC1)OC)=O)CCSC