2-({[(2-chlorobenzoyl)amino]carbothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

SpectraBase Compound ID	20usXgOfip8
InChI	InChI=1S/C19H20ClN3O2S2/c20-13-9-6-5-7-11(13)17(25)22-19(26)23-18-15(16(21)24)12-8-3-1-2-4-10-14(12)27-18/h5-7,9H,1-4,8,10H2,(H2,21,24)(H2,22,23,25,26)
InChIKey	FXGGZICVWJGMNF-UHFFFAOYSA-N Google Search
Mol Weight	421.96 g/mol
Molecular Formula	C19H20ClN3O2S2
Exact Mass	421.068547 g/mol

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SpectraBase Spectrum ID	7QPwtVPPIc6
Name	2-({[(2-chlorobenzoyl)amino]carbothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H20ClN3O2S2
InChI	InChI=1S/C19H20ClN3O2S2/c20-13-9-6-5-7-11(13)17(25)22-19(26)23-18-15(16(21)24)12-8-3-1-2-4-10-14(12)27-18/h5-7,9H,1-4,8,10H2,(H2,21,24)(H2,22,23,25,26)
InChIKey	FXGGZICVWJGMNF-UHFFFAOYSA-N
Molecular Weight	421.961 g/mol
SMILES	NC(c1c(sc2CCCCCCc12)NC(NC(c1c(Cl)cccc1)=O)=S)=O
SPLASH	splash10-057r-7920000000-4cc21b8214dcc7f050c7
Synonyms	2-[(2-chlorobenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide 2-[(2-chlorobenzoyl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Wiley ID	1461879