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1-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea
SpectraBase Compound ID 9un4HeLQg02
InChI InChI=1S/C20H22N4O3S2/c1-14-15(2)23-27-19(14)24-29(25,26)18-10-8-17(9-11-18)22-20(28)21-13-12-16-6-4-3-5-7-16/h3-11,24H,12-13H2,1-2H3,(H2,21,22,28)
InChIKey KRQPVTBTEFGZPF-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C20H22N4O3S2
Exact Mass 430.113333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26gTwHgxusP
Name 1-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea
Alternate Name(s) 1-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-3-(2-phenylethyl)thiourea 1-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-(2-phenylethyl)thiourea
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Formula C20H22N4O3S2
InChI InChI=1S/C20H22N4O3S2/c1-14-15(2)23-27-19(14)24-29(25,26)18-10-8-17(9-11-18)22-20(28)21-13-12-16-6-4-3-5-7-16/h3-11,24H,12-13H2,1-2H3,(H2,21,22,28)
InChIKey KRQPVTBTEFGZPF-UHFFFAOYSA-N
Molecular Weight 430.541 g/mol
SMILES N(C(Nc1ccc(S(Nc2c(c(C)no2)C)(=O)=O)cc1)=S)CCc1ccccc1
SPLASH splash10-0006-9500000000-3c9cee19ea9c02d73f68
Wiley ID 1445300