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1-Morpholinomethyl-5-nitroindole-2,3-dione-3-N-(4-methylphenyl)thiosemicarbazone
SpectraBase Compound ID HliBnCRB6ck
InChI InChI=1S/C21H22N6O4S/c1-14-2-4-15(5-3-14)22-21(32)24-23-19-17-12-16(27(29)30)6-7-18(17)26(20(19)28)13-25-8-10-31-11-9-25/h2-7,12H,8-11,13H2,1H3,(H2,22,24,32)/b23-19-
InChIKey IYVOESPRINNMDX-NMWGTECJSA-N
Mol Weight 454.51 g/mol
Molecular Formula C21H22N6O4S
Exact Mass 454.142324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uu6CvPd77x
Name 1-Morpholinomethyl-5-nitroindole-2,3-dione-3-N-(4-methylphenyl)thiosemicarbazone
Alternate Name(s) 1-Morphonoomethyl-5-nitroindole-2,3-dione-3-N-(4-methylphenyl)thiosemicarbazone (Z)-2-(1-(morpholinomethyl)-5-nitro-2-oxoindolin-3-ylidene)-N-(p-tolyl)hydrazinecarbothioamide 1-(4-Methylphenyl)-3-[(Z)-[1-(4-morpholinylmethyl)-5-nitro-2-oxo-3-indolylidene]amino]thiourea 1-(4-Methylphenyl)-3-[(Z)-[1-(morpholin-4-ylmethyl)-5-nitro-2-oxoindol-3-ylidene]amino]thiourea 1-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]-3-(p-tolyl)thiourea 1-(4-Methylphenyl)-3-[(Z)-[1-(morpholin-4-ylmethyl)-5-nitro-2-oxidanylidene-indol-3-ylidene]amino]thiourea
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Formula C21H22N6O4S
InChI InChI=1S/C21H22N6O4S/c1-14-2-4-15(5-3-14)22-21(32)24-23-19-17-12-16(27(29)30)6-7-18(17)26(20(19)28)13-25-8-10-31-11-9-25/h2-7,12H,8-11,13H2,1H3,(H2,22,24,32)/b23-19-
InChIKey IYVOESPRINNMDX-NMWGTECJSA-N
Molecular Weight 454.505 g/mol
SMILES N(C(Nc1ccc(C)cc1)=S)\N=C/1C(N(c2c1cc(N(=O)=O)cc2)CN1CCOCC1)=O
SPLASH splash10-0f8l-9000000000-0fc7ab69decd88ee64d8
Source of Spectrum EMC-37-916-4j
Wiley ID 1734689