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N-[2'-N'-(Isopropylcarbamoyl)ethyl]-1,2-benzisothiazol-3(2H)-thione
SpectraBase Compound ID 58AIonZCQmv
InChI InChI=1S/C13H16N2O2S2/c1-9(2)14-13(16)17-8-7-15-12(18)10-5-3-4-6-11(10)19-15/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKey WATKSRODZVZYHQ-UHFFFAOYSA-N
Mol Weight 296.4 g/mol
Molecular Formula C13H16N2O2S2
Exact Mass 296.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Innc84kybF9
Name N-[2'-N'-(Isopropylcarbamoyl)ethyl]-1,2-benzisothiazol-3(2H)-thione
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Formula C13H16N2O2S2
InChI InChI=1S/C13H16N2O2S2/c1-9(2)14-13(16)17-8-7-15-12(18)10-5-3-4-6-11(10)19-15/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKey WATKSRODZVZYHQ-UHFFFAOYSA-N
Molecular Weight 296.403 g/mol
SMILES N(C(OCCN1C(c2c(cccc2)S1)=S)=O)C(C)C
SPLASH splash10-0016-3900000000-facba72feda603e9e7e2
Source of Spectrum D8-329-423-12
Synonyms N-propan-2-ylcarbamic acid 2-(3-sulfanylidene-1,2-benzothiazol-2-yl)ethyl ester 2-(3-Thioxo-1,2-benzothiazol-2-yl)ethyl N-isopropylcarbamate 2-(3-Sulfanylidene-1,2-benzothiazol-2-yl)ethyl N-propan-2-ylcarbamate
Wiley ID 1516227