2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CO

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CO

InChI

InChI=1S/C24H28N4O2S/c1-19-7-9-20(10-8-19)15-28-16-21(17-29)25-24(28)31-18-23(30)27-13-11-26(12-14-27)22-5-3-2-4-6-22/h2-10,16,29H,11-15,17-18H2,1H3