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N-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide
SpectraBase Compound ID DBf2Bfm9m9y
InChI InChI=1S/C28H25N5O5S4/c1-3-22(40-28-32-21-12-8-18(33(36)37)14-24(21)42-28)26(35)30-17-7-11-20-23(13-17)41-27(31-20)39-15-25(34)29-16-5-9-19(10-6-16)38-4-2/h5-14,22H,3-4,15H2,1-2H3,(H,29,34)(H,30,35)
InChIKey MYGPSVGEFXZJTF-UHFFFAOYSA-N
Mol Weight 639.8 g/mol
Molecular Formula C28H25N5O5S4
Exact Mass 639.073854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xEuCZV1daq
Name N-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide
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Formula C28H25N5O5S4
InChI InChI=1S/C28H25N5O5S4/c1-3-22(40-28-32-21-12-8-18(33(36)37)14-24(21)42-28)26(35)30-17-7-11-20-23(13-17)41-27(31-20)39-15-25(34)29-16-5-9-19(10-6-16)38-4-2/h5-14,22H,3-4,15H2,1-2H3,(H,29,34)(H,30,35)
InChIKey MYGPSVGEFXZJTF-UHFFFAOYSA-N
Molecular Weight 639.778 g/mol
SMILES N(C(C(Sc1nc2ccc(N(=O)=O)cc2s1)CC)=O)c1cc2sc(SCC(Nc3ccc(cc3)OCC)=O)nc2cc1
SPLASH splash10-0a4u-7930000000-7a2915e5907afbf2dd39
Synonyms N-[2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]butanamide N-[2-[[2-keto-2-(p-phenetidino)ethyl]thio]-1,3-benzothiazol-6-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]butyramide N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide
Wiley ID 1447107