2-[1-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]piperidin-4-yl]sulfanylquinoline

Systemtic Name: 2-[1-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]piperidin-4-yl]sulfanylquinoline Openeye Name: 2-[[1-[3-(4-benzylpiperazin-1-yl)propyl]-4-piperidyl]sulfanyl]quinoline CAS Name: 2-[[1-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-4-piperidinyl]thio]quinoline IUPAC Name: 2-[1-[3-(4-benzylpiperazin-1-yl)propyl]piperidin-4-yl]sulfanylquinoline Traditional Name: 2-[[1-[3-(4-benzylpiperazino)propyl]-4-piperidyl]thio]quinoline Formula: C28H36N4S MolecularWeight: 460.67724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC3=CC=CC=C3C=C2)CCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1SC2=NC3=CC=CC=C3C=C2)CCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H36N4S/c1-2-7-24(8-3-1)23-32-21-19-31(20-22-32)16-6-15-30-17-13-26(14-18-30)33-28-12-11-25-9-4-5-10-27(25)29-28/h1-5,7-12,26H,6,13-23H2