2-[[3-(1-benzothiophen-3-yl)phenyl]methylsulfinyl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[3-(1-benzothiophen-3-yl)phenyl]methylsulfinyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[3-(benzothiophen-3-yl)phenyl]methylsulfinyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[3-(1-benzothiophen-3-yl)phenyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[3-(1-benzothiophen-3-yl)phenyl]methylsulfinyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[3-(benzothiophen-3-yl)benzyl]sulfinyl-ethanone Formula: C23H24N2O3S2 MolecularWeight: 440.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H24N2O3S2/c1-17(26)24-9-11-25(12-10-24)23(27)16-30(28)15-18-5-4-6-19(13-18)21-14-29-22-8-3-2-7-20(21)22/h2-8,13-14H,9-12,15-16H2,1H3