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2-(morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SpectraBase Compound ID ArFfzJeiWpE
InChI InChI=1S/C14H18N2O3S2/c17-13(18)11-9-3-1-2-4-10(9)21-12(11)15-14(20)16-5-7-19-8-6-16/h1-8H2,(H,15,20)(H,17,18)
InChIKey QSLQSQZYSXBNDQ-UHFFFAOYSA-N
Mol Weight 326.43 g/mol
Molecular Formula C14H18N2O3S2
Exact Mass 326.075885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPrJnp53aNX
Name 2-(morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Alternate Name(s) 2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-[[4-morpholinyl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Formula C14H18N2O3S2
InChI InChI=1S/C14H18N2O3S2/c17-13(18)11-9-3-1-2-4-10(9)21-12(11)15-14(20)16-5-7-19-8-6-16/h1-8H2,(H,15,20)(H,17,18)
InChIKey QSLQSQZYSXBNDQ-UHFFFAOYSA-N
Molecular Weight 326.429 g/mol
SMILES OC(c1c(sc2CCCCc12)NC(N1CCOCC1)=S)=O
SPLASH splash10-0006-9000000000-e05b79f154ac8c57ca70
Source of Spectrum SO-0-469-5
Wiley ID 1539353