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

Systemtic Name: 1-[4-[4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylphenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]phenyl]piperazino]ethanone Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)OC)CN4C=CN=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)OC)CN4C=CN=C4

InChI

InChI=1S/C26H32N4O2S/c1-21(31)29-15-17-30(18-16-29)23-6-11-25(12-7-23)33-26(19-28-14-13-27-20-28)10-5-22-3-8-24(32-2)9-4-22/h3-4,6-9,11-14,20,26H,5,10,15-19H2,1-2H3