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1-Piperidinomethyl-5-nitroindole-2,3-dione-3-N-(4-methylphenyl)thiosemicarbazone
SpectraBase Compound ID E3LzD2PKn1T
InChI InChI=1S/C22H24N6O3S/c1-15-5-7-16(8-6-15)23-22(32)25-24-20-18-13-17(28(30)31)9-10-19(18)27(21(20)29)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H2,23,25,32)/b24-20+
InChIKey COABPIFZLDXERW-HIXSDJFHSA-N
Mol Weight 452.53 g/mol
Molecular Formula C22H24N6O3S
Exact Mass 452.16306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZqd3knbGcA
Name 1-Piperidinomethyl-5-nitroindole-2,3-dione-3-N-(4-methylphenyl)thiosemicarbazone
Alternate Name(s) (E)-2-(5-nitro-2-oxo-1-(piperidin-1-ylmethyl)indolin-3-ylidene)-N-(p-tolyl)hydrazinecarbothioamide 1-(4-Methylphenyl)-3-[(E)-[5-nitro-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]thiourea 1-(4-Methylphenyl)-3-[(E)-[5-nitro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea 1-[(E)-[5-nitro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-3-(p-tolyl)thiourea 1-(4-Methylphenyl)-3-[(E)-[5-nitro-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea
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Formula C22H24N6O3S
InChI InChI=1S/C22H24N6O3S/c1-15-5-7-16(8-6-15)23-22(32)25-24-20-18-13-17(28(30)31)9-10-19(18)27(21(20)29)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H2,23,25,32)/b24-20+
InChIKey COABPIFZLDXERW-HIXSDJFHSA-N
Molecular Weight 452.533 g/mol
SMILES N(C(Nc1ccc(cc1)C)=S)\N=C\1C(N(c2c1cc(N(=O)=O)cc2)CN1CCCCC1)=O
SPLASH splash10-0006-9200000000-df29d49801ec599671ca
Source of Spectrum EMC-37-916-4k
Wiley ID 1734750