5-ethoxy-1-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-3-[[(3S)-3-oxidanylpiperidin-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 5-ethoxy-1-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-3-[[(3S)-3-oxidanylpiperidin-1-yl]methyl]benzimidazole-2-thione Openeye Name: 5-ethoxy-1-[[(3R)-3-hydroxy-1-piperidyl]methyl]-3-[[(3S)-3-hydroxy-1-piperidyl]methyl]benzimidazole-2-thione CAS Name: 5-ethoxy-1-[[(3R)-3-hydroxy-1-piperidinyl]methyl]-3-[[(3S)-3-hydroxy-1-piperidinyl]methyl]-2-benzimidazolethione IUPAC Name: 5-ethoxy-1-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]benzimidazole-2-thione Traditional Name: 5-ethoxy-1-[[(3R)-3-hydroxypiperidino]methyl]-3-[[(3S)-3-hydroxypiperidino]methyl]benzimidazole-2-thione Formula: C21H32N4O3S MolecularWeight: 420.56878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=S)N2CN3CCCC(C3)O)CN4CCCC(C4)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=S)N2CN3CCC[C@@H](C3)O)CN4CCC[C@H](C4)O

InChI

InChI=1S/C21H32N4O3S/c1-2-28-18-7-8-19-20(11-18)25(15-23-10-4-6-17(27)13-23)21(29)24(19)14-22-9-3-5-16(26)12-22/h7-8,11,16-17,26-27H,2-6,9-10,12-15H2,1H3/t16-,17+/m1/s1