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1,1'-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea]
SpectraBase Compound ID 1cYMYuHFRlM
InChI InChI=1S/C27H24N8O2S2/c1-17-12-13-20(28-24(36)30-26-34-32-22(38-26)14-18-8-4-2-5-9-18)16-21(17)29-25(37)31-27-35-33-23(39-27)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H2,28,30,34,36)(H2,29,31,35,37)
InChIKey NWRJRGWDOQXMJX-UHFFFAOYSA-N
Mol Weight 556.66 g/mol
Molecular Formula C27H24N8O2S2
Exact Mass 556.146364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVsbFUb5uv9
Name 1,1'-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N8O2S2
InChI InChI=1S/C27H24N8O2S2/c1-17-12-13-20(28-24(36)30-26-34-32-22(38-26)14-18-8-4-2-5-9-18)16-21(17)29-25(37)31-27-35-33-23(39-27)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H2,28,30,34,36)(H2,29,31,35,37)
InChIKey NWRJRGWDOQXMJX-UHFFFAOYSA-N
Molecular Weight 556.663 g/mol
SMILES N(c1nnc(s1)Cc1ccccc1)C(=O)Nc1c(ccc(c1)NC(=O)Nc1nnc(s1)Cc1ccccc1)C
SPLASH splash10-0006-9200000000-84d3189c2d266344d7f5
Synonyms 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-methyl-phenyl]urea 1-[2-methyl-5-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]phenyl]-3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]urea 1-[2-methyl-5-[[oxo-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]amino]phenyl]-3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]urea
Wiley ID 1468771