2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C21H25BrN2O2S MolecularWeight: 449.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H25BrN2O2S/c1-15-13-20(16(2)12-17(15)22)27-14-21(25)24-10-8-23(9-11-24)18-6-4-5-7-19(18)26-3/h4-7,12-13H,8-11,14H2,1-3H3