4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one

Systemtic Name: 4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butan-1-one CAS Name: 4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 1-(4-benzylpiperidino)-4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]butan-1-one Formula: C33H37N3OS MolecularWeight: 523.73138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=C(N=C1SCCCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H37N3OS/c1-2-36-32(29-17-10-5-11-18-29)31(28-15-8-4-9-16-28)34-33(36)38-24-12-19-30(37)35-22-20-27(21-23-35)25-26-13-6-3-7-14-26/h3-11,13-18,27H,2,12,19-25H2,1H3