1-[4-[4-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylphenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylphenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]sulfanylphenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[1-(1-imidazolyl)-4-(1-naphthalenyl)butan-2-yl]thio]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(1-imidazol-1-yl-4-naphthalen-1-ylbutan-2-yl)sulfanylphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]thio]phenyl]piperazino]ethanone Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=CC4=CC=CC=C43)CN5C=CN=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=CC4=CC=CC=C43)CN5C=CN=C5

InChI

InChI=1S/C29H32N4OS/c1-23(34)32-17-19-33(20-18-32)26-10-13-27(14-11-26)35-28(21-31-16-15-30-22-31)12-9-25-7-4-6-24-5-2-3-8-29(24)25/h2-8,10-11,13-16,22,28H,9,12,17-21H2,1H3