5-[2'-(2"-Thioureido)acetamido]benzo[b]thiophene-2-carboxylic Acid

SpectraBase Compound ID	Ee7kFE0cIxL
InChI	InChI=1S/C12H11N3O3S2/c13-12(19)14-5-10(16)15-7-1-2-8-6(3-7)4-9(20-8)11(17)18/h1-4H,5H2,(H,15,16)(H,17,18)(H3,13,14,19)
InChIKey	SJOZZOKTILYKHM-UHFFFAOYSA-N Google Search
Mol Weight	309.36 g/mol
Molecular Formula	C12H11N3O3S2
Exact Mass	309.024184 g/mol

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SpectraBase Spectrum ID	JhTx28Rqh9
Name	5-[2'-(2"-Thioureido)acetamido]benzo[b]thiophene-2-carboxylic Acid
Comments	Edited after expert review - Original record with SpectrumID 1696140 removed
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H11N3O3S2
InChI	InChI=1S/C12H11N3O3S2/c13-12(19)14-5-10(16)15-7-1-2-8-6(3-7)4-9(20-8)11(17)18/h1-4H,5H2,(H,15,16)(H,17,18)(H3,13,14,19)
InChIKey	SJOZZOKTILYKHM-UHFFFAOYSA-N
Molecular Weight	309.358 g/mol
SMILES	N(C(CNC(=S)N)=O)c1ccc2sc(C(=O)O)cc2c1
SPLASH	splash10-0032-4890000000-6624809b2c028eff31ec
Source of Spectrum	AH-140-449-5
Synonyms	5-[[2-(carbamothioylamino)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid 5-[[2-(carbamothioylamino)acetyl]amino]-1-benzothiophene-2-carboxylic acid 5-[[2-(carbamothioylamino)acetyl]amino]benzothiophene-2-carboxylic acid 5-[2-(carbamothioylamino)ethanoylamino]-1-benzothiophene-2-carboxylic acid
Wiley ID	1718241