4-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]butane-1-thione

Systemtic Name: 4-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]butane-1-thione Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-phenyl-butane-1-thione CAS Name: 4-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanethione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-phenylbutane-1-thione Traditional Name: 1-(4-benzylpiperazino)-4-phenyl-butane-1-thione Formula: C21H26N2S MolecularWeight: 338.50954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2S/c24-21(13-7-12-19-8-3-1-4-9-19)23-16-14-22(15-17-23)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2