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

Systemtic Name: 1-[4-[4-(1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl)sulfanylphenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]sulfanylphenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[1-(1-imidazolyl)-4-(2-naphthalenyl)butan-2-yl]thio]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(1-imidazol-1-yl-4-naphthalen-2-ylbutan-2-yl)sulfanylphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[1-(imidazol-1-ylmethyl)-3-(2-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=CC4=CC=CC=C4C=C3)CN5C=CN=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC4=CC=CC=C4C=C3)CN5C=CN=C5

InChI

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