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5-(3'-Benzoylamino-2',4',5'-thiadiazolyl)-2-(4''-piperazin-1"-yl)-1,4-benzoquinone
SpectraBase Compound ID 2mrXtVKspeH
InChI InChI=1S/C25H21N5O3S/c31-21-16-20(30-13-11-29(12-14-30)18-9-5-2-6-10-18)22(32)15-19(21)24-27-28-25(34-24)26-23(33)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,26,28,33)
InChIKey LKRMJKQBJILKML-UHFFFAOYSA-N
Mol Weight 471.54 g/mol
Molecular Formula C25H21N5O3S
Exact Mass 471.136511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcJjmgaijgO
Name 5-(3'-Benzoylamino-2',4',5'-thiadiazolyl)-2-(4''-piperazin-1"-yl)-1,4-benzoquinone
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Formula C25H21N5O3S
InChI InChI=1S/C25H21N5O3S/c31-21-16-20(30-13-11-29(12-14-30)18-9-5-2-6-10-18)22(32)15-19(21)24-27-28-25(34-24)26-23(33)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,26,28,33)
InChIKey LKRMJKQBJILKML-UHFFFAOYSA-N
Molecular Weight 471.535 g/mol
SMILES N(c1sc(C2=CC(=O)C(=CC2=O)N2CCN(CC2)c2ccccc2)nn1)C(=O)c1ccccc1
SPLASH splash10-0a4i-4906100000-0c898cbea53dccccb672
Source of Spectrum D8-331-387-4
Synonyms 2-(4-Phenylpiperazin-1-yl)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzoquinone N-[5-[3,6-dioxo-4-(4-phenyl-1-piperazinyl)-1-cyclohexa-1,4-dienyl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[3,6-dioxo-4-(4-phenylpiperazin-1-yl)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[3,6-bis(oxidanylidene)-4-(4-phenylpiperazin-1-yl)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-(5-(3,6-dioxo-4-(4-phenylpiperazin-1-yl)cyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl)benzamide
Wiley ID 1516604