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3-Amino-5-[(carbamoyl)methylthio]-4-(phenylsulfinyl)-2-thiophenecarboxamide
SpectraBase Compound ID 3ca2WGoBcV
InChI InChI=1S/C13H13N3O3S3/c14-8(17)6-20-13-11(9(15)10(21-13)12(16)18)22(19)7-4-2-1-3-5-7/h1-5H,6,15H2,(H2,14,17)(H2,16,18)
InChIKey DMLIAUAPOQIFHI-UHFFFAOYSA-N
Mol Weight 355.44 g/mol
Molecular Formula C13H13N3O3S3
Exact Mass 355.011905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iOvOn1lPB9
Name 3-Amino-5-[(carbamoyl)methylthio]-4-(phenylsulfinyl)-2-thiophenecarboxamide
Alternate Name(s) 3-amino-5-[(2-amino-2-oxoethyl)sulfanyl]-4-(phenylsulfinyl)-2-thiophenecarboxamide
CAS Registry Number 139427-36-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O3S3
InChI InChI=1S/C13H13N3O3S3/c14-8(17)6-20-13-11(9(15)10(21-13)12(16)18)22(19)7-4-2-1-3-5-7/h1-5H,6,15H2,(H2,14,17)(H2,16,18)
InChIKey DMLIAUAPOQIFHI-UHFFFAOYSA-N
Molecular Weight 355.445 g/mol
SMILES NC(CSc1sc(c(c1S(=O)c1ccccc1)N)C(=O)N)=O
SPLASH splash10-0a4i-0902000000-29806ce8c7daf1c5aef1
Source of Spectrum U-1992-397-5
Wiley ID 764189