2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propan-1-one CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(1-methylimidazol-2-yl)thio]propan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC=CN3C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC=CN3C

InChI

InChI=1S/C18H24N4OS/c1-15(24-18-19-8-9-20(18)2)17(23)22-12-10-21(11-13-22)14-16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3