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N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide

View entire compound with spectra: 2 MS (GC)

N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide
SpectraBase Compound ID 94jOr1wKLm1
InChI InChI=1S/C18H23N3O3S2/c19-26(23,24)15-3-1-14(2-4-15)20-17(25)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,23,24)(H2,20,21,22,25)/t11-,12+,13-,18-
InChIKey MXYIOLJWXSPENM-MCXHQAMOSA-N
Mol Weight 393.52 g/mol
Molecular Formula C18H23N3O3S2
Exact Mass 393.118084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UHM2ZCecom
Name 1-(1-ADAMANTYLCARBONYL)-3-(4-SULFAMOYLPHENYL)-2-THIOUREA
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H23N3O3S2
InChI InChI=1S/C18H23N3O3S2/c19-26(23,24)15-3-1-14(2-4-15)20-17(25)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,23,24)(H2,20,21,22,25)/t11-,12+,13-,18-
InChIKey MXYIOLJWXSPENM-MCXHQAMOSA-N
Molecular Weight 393.1176
SMILES N(C(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H]
SPLASH splash10-003l-9500000000-3e98e4e0ea57f6054b2e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany