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N-(4-(3-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)thioureido)phenylsulfonyl)acetamide
SpectraBase Compound ID BQ0PnyUVjuI
InChI InChI=1S/C18H18N4O3S3/c1-11(23)22-28(24,25)13-8-6-12(7-9-13)20-18(26)21-17-15(10-19)14-4-2-3-5-16(14)27-17/h6-9H,2-5H2,1H3,(H,22,23)(H2,20,21,26)
InChIKey QLJSLUQFQJJXNC-UHFFFAOYSA-N
Mol Weight 434.55 g/mol
Molecular Formula C18H18N4O3S3
Exact Mass 434.054104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1trO2Qhsm
Name N-(4-(3-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)thioureido)phenylsulfonyl)acetamide
Alternate Name(s) N-((4-(3-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)thioureido)phenyl)sulfonyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4O3S3
InChI InChI=1S/C18H18N4O3S3/c1-11(23)22-28(24,25)13-8-6-12(7-9-13)20-18(26)21-17-15(10-19)14-4-2-3-5-16(14)27-17/h6-9H,2-5H2,1H3,(H,22,23)(H2,20,21,26)
InChIKey QLJSLUQFQJJXNC-UHFFFAOYSA-N
Molecular Weight 434.547 g/mol
SMILES N(c1c(c2CCCCc2s1)C#N)C(Nc1ccc(S(NC(C)=O)(=O)=O)cc1)=S
SPLASH splash10-0a4u-0879100000-630e9014c23d8a8f279f
Source of Spectrum QA-49-414-22a
Wiley ID 1795630