5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-(phenylmethyl)imidazole-4-carbothioamide

Systemtic Name: 5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-(phenylmethyl)imidazole-4-carbothioamide Openeye Name: 5-amino-N-benzyl-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbothioamide CAS Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-N-(phenylmethyl)-4-imidazolecarbothioamide IUPAC Name: 5-amino-N-benzyl-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbothioamide Traditional Name: 5-amino-N-benzyl-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)imidazole-4-carbothioamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C2=C(N(C=N2)C3C(C(C(O3)CO)O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)C2=C(N(C=N2)C3C(C(C(O3)CO)O)O)N

InChI

InChI=1S/C16H20N4O4S/c17-14-11(15(25)18-6-9-4-2-1-3-5-9)19-8-20(14)16-13(23)12(22)10(7-21)24-16/h1-5,8,10,12-13,16,21-23H,6-7,17H2,(H,18,25)