5-nitro-3-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-1-phenyl-benzimidazole-2-thione

Systemtic Name: 5-nitro-3-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-1-phenyl-benzimidazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxy-1-piperidyl]methyl]-5-nitro-1-phenyl-benzimidazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidinyl]methyl]-5-nitro-1-phenyl-2-benzimidazolethione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-5-nitro-1-phenylbenzimidazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidino]methyl]-5-nitro-1-phenyl-benzimidazole-2-thione Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H](CN(C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4)O

InChI

InChI=1S/C19H20N4O3S/c24-16-7-4-10-20(12-16)13-21-18-11-15(23(25)26)8-9-17(18)22(19(21)27)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,24H,4,7,10,12-13H2/t16-/m1/s1