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N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID BlXKwkW0UGW
InChI InChI=1S/C25H26N4O5S2/c1-14-28-29-25(36-14)35-13-24(30)27-18-12-23(34-5)21(32-3)10-16(18)8-19-17-11-22(33-4)20(31-2)9-15(17)6-7-26-19/h6-7,9-12H,8,13H2,1-5H3,(H,27,30)
InChIKey UDQIKRXJCGFSQE-UHFFFAOYSA-N
Mol Weight 526.63 g/mol
Molecular Formula C25H26N4O5S2
Exact Mass 526.134462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hg0gPjBvjbt
Name N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Alternate Name(s) N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide
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Formula C25H26N4O5S2
InChI InChI=1S/C25H26N4O5S2/c1-14-28-29-25(36-14)35-13-24(30)27-18-12-23(34-5)21(32-3)10-16(18)8-19-17-11-22(33-4)20(31-2)9-15(17)6-7-26-19/h6-7,9-12H,8,13H2,1-5H3,(H,27,30)
InChIKey UDQIKRXJCGFSQE-UHFFFAOYSA-N
Molecular Weight 526.626 g/mol
SMILES N(c1c(Cc2c3cc(OC)c(cc3ccn2)OC)cc(c(c1)OC)OC)C(CSc1sc(nn1)C)=O
SPLASH splash10-001i-3549000000-1604c4c8b441a00037cf
Source of Spectrum IY-2-5032-8
Wiley ID 1658311