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2-(4-Methylpiperiazino)thiocarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
SpectraBase Compound ID EAW4DorTtQ7
InChI InChI=1S/C15H21N3O2S2/c1-17-6-8-18(9-7-17)15(21)16-13-12(14(19)20)10-4-2-3-5-11(10)22-13/h2-9H2,1H3,(H,16,21)(H,19,20)
InChIKey ZBJGKIKWJKNUOX-UHFFFAOYSA-N
Mol Weight 339.47 g/mol
Molecular Formula C15H21N3O2S2
Exact Mass 339.107519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJQwER2taxq
Name 2-(4-Methylpiperiazino)thiocarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N3O2S2
InChI InChI=1S/C15H21N3O2S2/c1-17-6-8-18(9-7-17)15(21)16-13-12(14(19)20)10-4-2-3-5-11(10)22-13/h2-9H2,1H3,(H,16,21)(H,19,20)
InChIKey ZBJGKIKWJKNUOX-UHFFFAOYSA-N
Molecular Weight 339.472 g/mol
SMILES OC(c1c(sc2CCCCc12)NC(N1CCN(CC1)C)=S)=O
SPLASH splash10-00kf-9800000000-9717d8c455956b898e2d
Source of Spectrum SO-0-469-5
Synonyms 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-[(4-methylpiperazine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-[(4-methylpiperazin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Wiley ID 1539352