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Benzamide, N-cyclohexyl-N-[(cyclohexylamino)thioxomethyl]-4-nitro-
SpectraBase Compound ID DlZ6e90TT0A
InChI InChI=1S/C20H27N3O3S/c24-19(15-11-13-18(14-12-15)23(25)26)22(17-9-5-2-6-10-17)20(27)21-16-7-3-1-4-8-16/h11-14,16-17H,1-10H2,(H,21,27)
InChIKey APJWJBBVGHJUPM-UHFFFAOYSA-N
Mol Weight 389.51 g/mol
Molecular Formula C20H27N3O3S
Exact Mass 389.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G25KAU6wpdO
Name Benzamide, N-cyclohexyl-N-[(cyclohexylamino)thioxomethyl]-4-nitro-
Alternate Name(s) N,N'-dicyclohexyl-N-(4-nitrobenzoyl)thiourea NN'-dicyclohexy-N-p-nitrobenzoylthiourea
CAS Registry Number 59410-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O3S
InChI InChI=1S/C20H27N3O3S/c24-19(15-11-13-18(14-12-15)23(25)26)22(17-9-5-2-6-10-17)20(27)21-16-7-3-1-4-8-16/h11-14,16-17H,1-10H2,(H,21,27)
InChIKey APJWJBBVGHJUPM-UHFFFAOYSA-N
Molecular Weight 389.514 g/mol
SMILES N(C(N(C(c1ccc(N(=O)=O)cc1)=O)C1CCCCC1)=S)C1CCCCC1
SPLASH splash10-0pb9-9800000000-28fc644f988a506b6b77
Source of Spectrum KC-1976-569-0
Wiley ID 1364326