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N-[3-Benzoyl-4-(4-tolylacetylamino)phenyl]-3-(4-bromo-2-thienyl)acrylic acid amide
SpectraBase Compound ID 5KhQLlNs7If
InChI InChI=1S/C29H23BrN2O3S/c1-19-7-9-20(10-8-19)15-28(34)32-26-13-11-23(17-25(26)29(35)21-5-3-2-4-6-21)31-27(33)14-12-24-16-22(30)18-36-24/h2-14,16-18H,15H2,1H3,(H,31,33)(H,32,34)/b14-12+
InChIKey REJZNHVGWYIBOQ-WYMLVPIESA-N
Mol Weight 559.48 g/mol
Molecular Formula C29H23BrN2O3S
Exact Mass 558.061277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVl9DVsTfqx
Name N-[3-Benzoyl-4-(4-tolylacetylamino)phenyl]-3-(4-bromo-2-thienyl)acrylic acid amide
Alternate Name(s) (E)-N-(3-benzoyl-4-(2-(p-tolyl)acetamido)phenyl)-3-(4-bromothiophen-2-yl)acrylamide (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)-1-oxoethyl]amino]phenyl]-3-(4-bromo-2-thiophenyl)-2-propenamide (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(4-bromothiophen-2-yl)prop-2-enamide (E)-N-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]phenyl]-3-(4-bromo-2-thienyl)prop-2-enamide (E)-3-(4-bromanylthiophen-2-yl)-N-[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]prop-2-enamide
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Formula C29H23BrN2O3S
InChI InChI=1S/C29H23BrN2O3S/c1-19-7-9-20(10-8-19)15-28(34)32-26-13-11-23(17-25(26)29(35)21-5-3-2-4-6-21)31-27(33)14-12-24-16-22(30)18-36-24/h2-14,16-18H,15H2,1H3,(H,31,33)(H,32,34)/b14-12+
InChIKey REJZNHVGWYIBOQ-WYMLVPIESA-N
Literature Reference DOI 10.1002/ardp.200400886
Molecular Weight 559.478 g/mol
SMILES N(C(\C=C\c1cc(cs1)Br)=O)c1ccc(c(c1)C(=O)c1ccccc1)NC(=O)Cc1ccc(cc1)C
SPLASH splash10-08fr-0552290000-c091dcbd7c584e8ce1be
Source of Spectrum APC-338-16-15
Wiley ID 1770885