2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanone CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(3,4-dichlorobenzyl)thio]ethanone Formula: C20H22Cl2N2OS MolecularWeight: 409.37248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2OS/c21-18-7-6-17(12-19(18)22)14-26-15-20(25)24-10-8-23(9-11-24)13-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2