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2-[(N'-Benzyl-N'-phenethyl)thioureido]-dithiobenzoic acid
SpectraBase Compound ID 1QeM8nXeoQo
InChI InChI=1S/C23H22N2S3/c26-22(27)20-13-7-8-14-21(20)24-23(28)25(17-19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,28)(H,26,27)
InChIKey PDXPLSRVFHEVHU-UHFFFAOYSA-N
Mol Weight 422.62 g/mol
Molecular Formula C23H22N2S3
Exact Mass 422.094512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9bCFCNvNyK
Name 2-[(N'-Benzyl-N'-phenethyl)thioureido]-dithiobenzoic acid
Alternate Name(s) 2-({[benzyl(2-phenylethyl)amino]carbothioyl}amino)benzenecarbodithioic acid 2-[[[2-phenylethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzenecarbodithioic acid 2-[[benzyl(2-phenylethyl)carbamothioyl]amino]benzenecarbodithioic acid 2-[[2-phenylethyl-(phenylmethyl)carbamothioyl]amino]benzenecarbodithioic acid
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Formula C23H22N2S3
InChI InChI=1S/C23H22N2S3/c26-22(27)20-13-7-8-14-21(20)24-23(28)25(17-19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,28)(H,26,27)
InChIKey PDXPLSRVFHEVHU-UHFFFAOYSA-N
Molecular Weight 422.623 g/mol
SMILES N(C(N(Cc1ccccc1)CCc1ccccc1)=S)c1c(C(=S)S)cccc1
SPLASH splash10-006x-9700000000-e2ae313e7317f607b6e8
Source of Spectrum Y-39-1032-11
Wiley ID 1528645