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3-Chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
SpectraBase Compound ID 1xos97ZIvGO
InChI InChI=1S/C20H19ClN4O3S/c1-23-9-11-24(12-10-23)15-7-3-2-6-14(15)22-20(26)19-17(21)13-5-4-8-16(25(27)28)18(13)29-19/h2-8H,9-12H2,1H3,(H,22,26)
InChIKey IFNXHFVRCREJEH-UHFFFAOYSA-N
Mol Weight 430.91 g/mol
Molecular Formula C20H19ClN4O3S
Exact Mass 430.086639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8B9PAq2NOdj
Name 3-Chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Alternate Name(s) 3-Chloro-N-[2-(4-methyl-1-piperazinyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide 3-Chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide 3-Chloranyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
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Formula C20H19ClN4O3S
InChI InChI=1S/C20H19ClN4O3S/c1-23-9-11-24(12-10-23)15-7-3-2-6-14(15)22-20(26)19-17(21)13-5-4-8-16(25(27)28)18(13)29-19/h2-8H,9-12H2,1H3,(H,22,26)
InChIKey IFNXHFVRCREJEH-UHFFFAOYSA-N
Molecular Weight 430.910 g/mol
SMILES N(c1ccccc1N1CCN(C)CC1)C(=O)c1c(c2c(s1)c(ccc2)N(=O)=O)Cl
SPLASH splash10-0006-9511000000-b2361a8e75426f4a7f8f
Source of Spectrum IY-2-4992-3
Wiley ID 1657906