1-[4-(phenylmethyl)piperidin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-5-[(1,4,5-triphenyl-2-imidazolyl)thio]-1-pentanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-5-(1,4,5-triphenylimidazol-2-yl)sulfanylpentan-1-one Traditional Name: 1-(4-benzylpiperidino)-5-[(1,4,5-triphenylimidazol-2-yl)thio]pentan-1-one Formula: C38H39N3OS MolecularWeight: 585.80076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H39N3OS/c42-35(40-26-24-31(25-27-40)29-30-15-5-1-6-16-30)23-13-14-28-43-38-39-36(32-17-7-2-8-18-32)37(33-19-9-3-10-20-33)41(38)34-21-11-4-12-22-34/h1-12,15-22,31H,13-14,23-29H2