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2-{4-[(4-Oxo-4H-benzo[e][1,3]oxazine-2-carbothioyl)amino]phenylthiocarbamoanecarboximidoyloxy}benzoic acid (thiocarbonyl)amino]benzene

View entire compound with spectra: 1 MS (GC)

2-{4-[(4-Oxo-4H-benzo[e][1,3]oxazine-2-carbothioyl)amino]phenylthiocarbamoanecarboximidoyloxy}benzoic acid (thiocarbonyl)amino]benzene
SpectraBase Compound ID 17b5eeUOHlm
InChI InChI=1S/C24H16N4O5S2/c25-19(32-18-8-4-2-6-16(18)24(30)31)22(34)26-13-9-11-14(12-10-13)27-23(35)21-28-20(29)15-5-1-3-7-17(15)33-21/h1-12,25H,(H,26,34)(H,27,35)(H,30,31)
InChIKey JVSGIWWATLJGBS-UHFFFAOYSA-N
Mol Weight 504.54 g/mol
Molecular Formula C24H16N4O5S2
Exact Mass 504.056212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43FcG2Lhh5x
Name 2-{4-[(4-Oxo-4H-benzo[e][1,3]oxazine-2-carbothioyl)amino]phenylthiocarbamoanecarboximidoyloxy}benzoic acid (thiocarbonyl)amino]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16N4O5S2
InChI InChI=1S/C24H16N4O5S2/c25-19(32-18-8-4-2-6-16(18)24(30)31)22(34)26-13-9-11-14(12-10-13)27-23(35)21-28-20(29)15-5-1-3-7-17(15)33-21/h1-12,25H,(H,26,34)(H,27,35)(H,30,31)
InChIKey JVSGIWWATLJGBS-UHFFFAOYSA-N
Molecular Weight 504.535 g/mol
SMILES N(C(C1=NC(c2c(cccc2)O1)=O)=S)c1ccc(NC(C(Oc2c(C(=O)O)cccc2)=N)=S)cc1
SPLASH splash10-00di-3931000000-ed2e12a5aa2451731e40
Source of Spectrum CV-0-166-19
Wiley ID 872751