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2-(1,3-benzothiazol-2-ylsulfanyl)-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
SpectraBase Compound ID 3vCYLBmVqRI
InChI InChI=1S/C29H27N3O5S2/c1-34-23-12-17-9-10-30-22(19(17)14-25(23)36-3)11-18-13-24(35-2)26(37-4)15-21(18)31-28(33)16-38-29-32-20-7-5-6-8-27(20)39-29/h5-10,12-15H,11,16H2,1-4H3,(H,31,33)
InChIKey CBYOOJRDYVBAQB-UHFFFAOYSA-N
Mol Weight 561.67 g/mol
Molecular Formula C29H27N3O5S2
Exact Mass 561.139213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BnrORewA4l
Name 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
Alternate Name(s) 2-(1,3-benzothiazol-2-ylthio)-N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]acetamide 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]acetamide 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]acetamide 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]ethanamide
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Formula C29H27N3O5S2
InChI InChI=1S/C29H27N3O5S2/c1-34-23-12-17-9-10-30-22(19(17)14-25(23)36-3)11-18-13-24(35-2)26(37-4)15-21(18)31-28(33)16-38-29-32-20-7-5-6-8-27(20)39-29/h5-10,12-15H,11,16H2,1-4H3,(H,31,33)
InChIKey CBYOOJRDYVBAQB-UHFFFAOYSA-N
Molecular Weight 561.671 g/mol
SMILES N(c1c(Cc2c3cc(OC)c(cc3ccn2)OC)cc(c(c1)OC)OC)C(CSc1nc2ccccc2s1)=O
SPLASH splash10-001i-5926000000-d45bc83aca53285eec36
Source of Spectrum IY-2-5078-4
Wiley ID 1658767