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Propyl 2-(([(1-adamantylcarbonyl)amino]carbothioyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4CRT8hziqaS
InChI InChI=1S/C24H32N2O3S2/c1-2-7-29-23(28)20-17-5-3-4-6-18(17)31-22(20)26-24(30)25-21(27)19-15-9-13-8-14(11-15)12-16(19)10-13/h13-16,19H,2-12H2,1H3,(H2,25,26,27,30)/t13-,14+,15-,16+,19?
InChIKey AJZNCHDYSIXFSW-HSQUSHGYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C24H32N2O3S2
Exact Mass 460.185435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvNhNTKyfQ6
Name Propyl 2-(([(1-adamantylcarbonyl)amino]carbothioyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C24H32N2O3S2
InChI InChI=1S/C24H32N2O3S2/c1-2-7-29-23(28)20-17-5-3-4-6-18(17)31-22(20)26-24(30)25-21(27)19-15-9-13-8-14(11-15)12-16(19)10-13/h13-16,19H,2-12H2,1H3,(H2,25,26,27,30)/t13-,14+,15-,16+,19?
InChIKey AJZNCHDYSIXFSW-HSQUSHGYSA-N
Molecular Weight 460.651 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCCC)C(=S)NC(=O)C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H]
SPLASH splash10-002o-9400000000-3ba61f6e1178dd581cf2
Synonyms Propyl 2-({[(2-adamantylcarbonyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Propyl 2-[3-(1-adamantylcarbonyl)thioureido]-4,5,6,7- Propyl 2-[3-(1-adamantylcarbonyl)thioureido]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Wiley ID 1469544