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

Systemtic Name: 1-[4-[4-(1-imidazol-1-yl-4-phenyl-butan-2-yl)sulfanylphenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]sulfanylphenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[1-(1-imidazolyl)-4-phenylbutan-2-yl]thio]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(1-imidazol-1-yl-4-phenylbutan-2-yl)sulfanylphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]thio]phenyl]piperazino]ethanone Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-21(30)28-15-17-29(18-16-28)23-8-11-24(12-9-23)31-25(19-27-14-13-26-20-27)10-7-22-5-3-2-4-6-22/h2-6,8-9,11-14,20,25H,7,10,15-19H2,1H3