5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]pentanamide

Systemtic Name: 5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]pentanamide Openeye Name: N-(1-benzyl-4-piperidyl)-5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-pentanamide CAS Name: 5-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]-N-[1-(phenylmethyl)-4-piperidinyl]pentanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-5-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpentanamide Traditional Name: N-(1-benzyl-4-piperidyl)-5-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]valeramide Formula: C36H44N4OS MolecularWeight: 580.82576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H44N4OS/c1-2-3-24-40-35(31-19-11-6-12-20-31)34(30-17-9-5-10-18-30)38-36(40)42-27-14-13-21-33(41)37-32-22-25-39(26-23-32)28-29-15-7-4-8-16-29/h4-12,15-20,32H,2-3,13-14,21-28H2,1H3,(H,37,41)