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N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide
SpectraBase Compound ID EZsLp4O0SsD
InChI InChI=1S/C26H30N4O2S3/c1-15-3-5-17-19(13-27)25(34-21(17)11-15)29-23(31)7-9-33-10-8-24(32)30-26-20(14-28)18-6-4-16(2)12-22(18)35-26/h15-16H,3-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey AEBJBIXMTVATRW-UHFFFAOYSA-N
Mol Weight 526.73 g/mol
Molecular Formula C26H30N4O2S3
Exact Mass 526.15309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY6VWhkPJfx
Name N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide
Alternate Name(s) N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]thio]propanamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]sulfanyl-propanamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]thio]propionamide
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Formula C26H30N4O2S3
InChI InChI=1S/C26H30N4O2S3/c1-15-3-5-17-19(13-27)25(34-21(17)11-15)29-23(31)7-9-33-10-8-24(32)30-26-20(14-28)18-6-4-16(2)12-22(18)35-26/h15-16H,3-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey AEBJBIXMTVATRW-UHFFFAOYSA-N
Molecular Weight 526.732 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C#N)C(CCSCCC(Nc1c(c2c(s1)CC(CC2)C)C#N)=O)=O
SPLASH splash10-0f6x-3910000000-702c5b32b749f36f7806
Wiley ID 1446338