Benzoic acid, 4-[[[(2-furanylmethyl)[1-(4-methoxyphenyl)-3-methyl-3-butenyl]amino]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	HF7ojMPi6OS
InChI	InChI=1S/C26H28N2O4S/c1-18(2)16-24(19-9-13-22(30-3)14-10-19)28(17-23-6-5-15-32-23)26(33)27-21-11-7-20(8-12-21)25(29)31-4/h5-15,24H,1,16-17H2,2-4H3,(H,27,33)
InChIKey	AYUMGGIKVZCFFO-UHFFFAOYSA-N Google Search
Mol Weight	464.58 g/mol
Molecular Formula	C26H28N2O4S
Exact Mass	464.176979 g/mol

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SpectraBase Spectrum ID	90ppqZeUD3p
Name	Benzoic acid, 4-[[[(2-furanylmethyl)[1-(4-methoxyphenyl)-3-methyl-3-butenyl]amino]carbonothioyl]amino]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	464.176978560 u
Formula	C26H28N2O4S
InChI	InChI=1S/C26H28N2O4S/c1-18(2)16-24(19-9-13-22(30-3)14-10-19)28(17-23-6-5-15-32-23)26(33)27-21-11-7-20(8-12-21)25(29)31-4/h5-15,24H,1,16-17H2,2-4H3,(H,27,33)
InChIKey	AYUMGGIKVZCFFO-UHFFFAOYSA-N
Molecular Weight	464.580 g/mol
SMILES	N(C(N(C(C1=CC=C(C=C1)OC)CC(=C)C)CC=1OC=CC1)=S)C1=CC=C(C(=O)OC)C=C1