N-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-methyl-piperazine-1-carbothioamide

Systemtic Name: N-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-methyl-piperazine-1-carbothioamide Openeye Name: 4-methyl-N-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]piperazine-1-carbothioamide CAS Name: 4-methyl-N-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-piperazinecarbothioamide IUPAC Name: 4-methyl-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazine-1-carbothioamide Traditional Name: 4-methyl-N-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)piperazine-1-carbothioamide Formula: C12H23N3O5S MolecularWeight: 321.39312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C12H23N3O5S/c1-14-2-4-15(5-3-14)12(21)13-11-10(19)9(18)8(17)7(6-16)20-11/h7-11,16-19H,2-6H2,1H3,(H,13,21)