N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-ethylthiourea

SpectraBase Compound ID	AtBln2nY4mD
InChI	InChI=1S/C21H20BrN3O4S/c1-2-23-21(30)24(11-13-3-8-17-18(9-13)29-12-28-17)16-10-19(26)25(20(16)27)15-6-4-14(22)5-7-15/h3-9,16H,2,10-12H2,1H3,(H,23,30)
InChIKey	ROJNLRWPUGWHBE-UHFFFAOYSA-N Google Search
Mol Weight	490.37 g/mol
Molecular Formula	C21H20BrN3O4S
Exact Mass	489.03579 g/mol

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SpectraBase Spectrum ID	F6lYFpcduCj
Name	1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-ethyl-thiourea
Alternate Name(s)	1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-3-ethylthiourea 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-ethyl-thiourea 1-[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-ethyl-1-piperonyl-thiourea
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H20BrN3O4S
InChI	InChI=1S/C21H20BrN3O4S/c1-2-23-21(30)24(11-13-3-8-17-18(9-13)29-12-28-17)16-10-19(26)25(20(16)27)15-6-4-14(22)5-7-15/h3-9,16H,2,10-12H2,1H3,(H,23,30)
InChIKey	ROJNLRWPUGWHBE-UHFFFAOYSA-N
Molecular Weight	490.372 g/mol
SMILES	N(C(N(C1C(N(C(C1)=O)c1ccc(cc1)Br)=O)Cc1ccc2c(c1)OCO2)=S)CC
SPLASH	splash10-000i-5900000000-ca0cb485ea7c5c41c213
Wiley ID	1446778