2-[(2-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

SpectraBase Compound ID	GW7UwlGBHmG
InChI	InChI=1S/C18H18ClN3O2S2/c1-9-6-7-11-13(8-9)26-17(14(11)15(20)23)22-18(25)21-16(24)10-4-2-3-5-12(10)19/h2-5,9H,6-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey	BKOBWMSAYXLJJL-UHFFFAOYSA-N Google Search
Mol Weight	407.93 g/mol
Molecular Formula	C18H18ClN3O2S2
Exact Mass	407.052897 g/mol

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SpectraBase Spectrum ID	LMB2ScYOtIn
Name	2-[(2-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H18ClN3O2S2
InChI	InChI=1S/C18H18ClN3O2S2/c1-9-6-7-11-13(8-9)26-17(14(11)15(20)23)22-18(25)21-16(24)10-4-2-3-5-12(10)19/h2-5,9H,6-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey	BKOBWMSAYXLJJL-UHFFFAOYSA-N
Molecular Weight	407.934 g/mol
SMILES	NC(c1c(sc2CC(CCc12)C)NC(NC(c1c(Cl)cccc1)=O)=S)=O
SPLASH	splash10-01pc-7910000000-33e28d00ae7fbb6989ff
Synonyms	2-[(2-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(2-chlorobenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Wiley ID	1462500