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N-[(E)-1-(4-methylpiperazine-1-carbonyl)-2-(3-nitrophenyl)vinyl]thiophene-2-carboxamide
SpectraBase Compound ID EAaOpqHYITR
InChI InChI=1S/C19H20N4O4S/c1-21-7-9-22(10-8-21)19(25)16(20-18(24)17-6-3-11-28-17)13-14-4-2-5-15(12-14)23(26)27/h2-6,11-13H,7-10H2,1H3,(H,20,24)/b16-13+
InChIKey DRTOPHXEQDSUSO-DTQAZKPQSA-N
Mol Weight 400.45 g/mol
Molecular Formula C19H20N4O4S
Exact Mass 400.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lKeP5X5BQ
Name N-[(E)-1-(4-methylpiperazine-1-carbonyl)-2-(3-nitrophenyl)vinyl]thiophene-2-carboxamide
Alternate Name(s) N-[(E)-3-(4-methyl-1-piperazinyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide N-[(E)-3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide N-[(E)-3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
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Formula C19H20N4O4S
InChI InChI=1S/C19H20N4O4S/c1-21-7-9-22(10-8-21)19(25)16(20-18(24)17-6-3-11-28-17)13-14-4-2-5-15(12-14)23(26)27/h2-6,11-13H,7-10H2,1H3,(H,20,24)/b16-13+
InChIKey DRTOPHXEQDSUSO-DTQAZKPQSA-N
Molecular Weight 400.453 g/mol
SMILES N(\C(C(N1CCN(CC1)C)=O)=C\c1cc(N(=O)=O)ccc1)C(c1sccc1)=O
SPLASH splash10-08mi-9300000000-fe34902f86992be3b091
Wiley ID 1454784