1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(2,4,6-trimethylphenyl)thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)sulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(mesitylthio)ethanone Formula: C21H25ClN2OS MolecularWeight: 388.954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H25ClN2OS/c1-15-11-16(2)21(17(3)12-15)26-14-20(25)24-9-7-23(8-10-24)19-6-4-5-18(22)13-19/h4-6,11-13H,7-10,14H2,1-3H3