ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

SpectraBase Compound ID	5CliOCtmEMS
InChI	InChI=1S/C19H23BrN4O3S2/c1-3-24-10-12(20)15(23-24)16(25)21-19(28)22-17-14(18(26)27-4-2)11-8-6-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,21,22,25,28)
InChIKey	LTFYFGBOJBPBAI-UHFFFAOYSA-N Google Search
Mol Weight	499.44 g/mol
Molecular Formula	C19H23BrN4O3S2
Exact Mass	498.039496 g/mol

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SpectraBase Spectrum ID	Fc2TWRFqB7c
Name	2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H23BrN4O3S2
InChI	InChI=1S/C19H23BrN4O3S2/c1-3-24-10-12(20)15(23-24)16(25)21-19(28)22-17-14(18(26)27-4-2)11-8-6-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,21,22,25,28)
InChIKey	LTFYFGBOJBPBAI-UHFFFAOYSA-N
Molecular Weight	499.442 g/mol
SMILES	N(C(=S)NC(=O)c1n[n](cc1Br)CC)c1sc2CCCCCc2c1C(OCC)=O
SPLASH	splash10-0uei-5790000000-013856610a69d5481fb7
Synonyms	2-[[[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Ethyl 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Wiley ID	1459605