S-[5-(4-cyano-4-phenyl-piperidin-1-yl)pentyl] 1H-benzimidazole-2-carbothioate

Systemtic Name: S-[5-(4-cyano-4-phenyl-piperidin-1-yl)pentyl] 1H-benzimidazole-2-carbothioate Openeye Name: S-[5-(4-cyano-4-phenyl-1-piperidyl)pentyl] 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-[5-(4-cyano-4-phenyl-1-piperidinyl)pentyl] ester IUPAC Name: S-[5-(4-cyano-4-phenylpiperidin-1-yl)pentyl] 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-[5-(4-cyano-4-phenyl-piperidino)pentyl] ester Formula: C25H28N4OS MolecularWeight: 432.58102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCCCSC(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCCCSC(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H28N4OS/c26-19-25(20-9-3-1-4-10-20)13-16-29(17-14-25)15-7-2-8-18-31-24(30)23-27-21-11-5-6-12-22(21)28-23/h1,3-6,9-12H,2,7-8,13-18H2,(H,27,28)