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2-(4-Methylpiperazin-1-yl)carbonyl-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
SpectraBase Compound ID 3m5EcoM9C8G
InChI InChI=1S/C31H28N4O2S2/c1-34-15-17-35(18-16-34)30(37)26-12-5-4-11-25(26)29(36)32-23-13-14-27-28(19-23)39-31(33-27)38-20-22-9-6-8-21-7-2-3-10-24(21)22/h2-14,19H,15-18,20H2,1H3,(H,32,36)
InChIKey QWOWRIYWAPIACG-UHFFFAOYSA-N
Mol Weight 552.71 g/mol
Molecular Formula C31H28N4O2S2
Exact Mass 552.165369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzXiciBerEQ
Name 2-(4-Methylpiperazin-1-yl)carbonyl-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
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Formula C31H28N4O2S2
InChI InChI=1S/C31H28N4O2S2/c1-34-15-17-35(18-16-34)30(37)26-12-5-4-11-25(26)29(36)32-23-13-14-27-28(19-23)39-31(33-27)38-20-22-9-6-8-21-7-2-3-10-24(21)22/h2-14,19H,15-18,20H2,1H3,(H,32,36)
InChIKey QWOWRIYWAPIACG-UHFFFAOYSA-N
Molecular Weight 552.711 g/mol
SMILES N(C(c1c(C(N2CCN(CC2)C)=O)cccc1)=O)c1cc2sc(nc2cc1)SCc1c2c(cccc2)ccc1
SPLASH splash10-0006-6900000000-9f5f14449c3af0ccf04a
Synonyms 2-(4-Methylpiperazine-1-carbonyl)-N-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide 2-(4-Methylpiperazine-1-carbonyl)-N-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]benzamide 2-(4-Methylpiperazine-1-carbonyl)-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide 2-[(4-methyl-1-piperazinyl)-oxomethyl]-N-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]benzamide
Wiley ID 1437391