Chem
J-GLOBAL ID：201207001887549879
Nikkaji number：J3.010.142A
N-Furfuryl-N-[α-(4-methoxybenzylcarbamoyl)-4-hydroxybenzyl]-4-amino-3-carbamoylisothiazole-5-carboxamide
N-フルフリル-N-[α-(4-メトキシベンジルカルバモイル)-4-ヒドロキシベンジル]-4-アミノ-3-カルバモイルイソチアゾール-5-カルボアミド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C26H25N5O6S
Molecular formula furigana： C26-H25-N5-O6-S
Molecular weight： 535.580
InChI：
InChI=1S/C26H25N5O6S/c1-36-18-10-4-15(5-11-18)13-29-25(34)22(16-6-8-17(32)9-7-16)31(14-19-3-2-12-37-19)26(35)23-20(27)21(24(28)33)30-38-23/h2-12,22,32H,13-14,27H2,1H3,(H2,28,33)(H,29,34)
InChI key：
TVONKIFIPYRNRD-UHFFFAOYSA-N
SMILES：
COc1ccc(CNC(=O)C(N(Cc2ccco2)C(=O)c2snc(C(=O)N)c2N)c2ccc(O)cc2)cc1
Systematic name (3)：
- N-フルフリル-N-[α-(4-メトキシベンジルカルバモイル)-4-ヒドロキシベンジル]-4-アミノ-3-カルバモイルイソチアゾール-5-カルボアミド
- 4-アミノ-N5-[(フラン-2-イル)メチル]-N5-[(4-ヒドロキシフェニル)({[(4-メトキシフェニル)メチル]カルバモイル})メチル]-1,2-チアゾール-3,5-ジカルボキサミド
- 4-amino-N5-[(furan-2-yl)methyl]-N5-[(4-hydroxyphenyl)({[(4-methoxyphenyl)methyl]carbamoyl})methyl]-1,2-thiazole-3,5-dicarboxamide
- N-Furfuryl-N-[α-(4-methoxybenzylcarbamoyl)-4-hydroxybenzyl]-4-amino-3-carbamoylisothiazole-5-carboxamide
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