2-(4-bromophenyl)sulfanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[4-(2,5-dimethoxybenzyl)piperazino]ethanone Formula: C21H25BrN2O3S MolecularWeight: 465.4038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-26-18-5-8-20(27-2)16(13-18)14-23-9-11-24(12-10-23)21(25)15-28-19-6-3-17(22)4-7-19/h3-8,13H,9-12,14-15H2,1-2H3