1-[3,4-dimethyl-4-[3-[2-(phenylmethylsulfanyl)-1H-imidazol-5-yl]phenyl]piperidin-1-yl]hexan-1-one

Systemtic Name: 1-[3,4-dimethyl-4-[3-[2-(phenylmethylsulfanyl)-1H-imidazol-5-yl]phenyl]piperidin-1-yl]hexan-1-one Openeye Name: 1-[4-[3-(2-benzylsulfanyl-1H-imidazol-5-yl)phenyl]-3,4-dimethyl-1-piperidyl]hexan-1-one CAS Name: 1-[3,4-dimethyl-4-[3-[2-(phenylmethylthio)-1H-imidazol-5-yl]phenyl]-1-piperidinyl]-1-hexanone IUPAC Name: 1-[4-[3-(2-benzylsulfanyl-1H-imidazol-5-yl)phenyl]-3,4-dimethylpiperidin-1-yl]hexan-1-one Traditional Name: 1-[4-[3-[2-(benzylthio)-1H-imidazol-5-yl]phenyl]-3,4-dimethyl-piperidino]hexan-1-one Formula: C29H37N3OS MolecularWeight: 475.68858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC(=C2)C3=CN=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC(=C2)C3=CN=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C29H37N3OS/c1-4-5-7-15-27(33)32-17-16-29(3,22(2)20-32)25-14-10-13-24(18-25)26-19-30-28(31-26)34-21-23-11-8-6-9-12-23/h6,8-14,18-19,22H,4-5,7,15-17,20-21H2,1-3H3,(H,30,31)