1-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]-4-phenyl-piperazine; ethanedioic acid

Systemtic Name: 1-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]-4-phenyl-piperazine; ethanedioic acid Openeye Name: 1-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[2-[[(4-chlorophenyl)-phenylmethyl]thio]ethyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]ethyl]-4-phenyl-piperazine; oxalic acid Formula: C27H29ClN2O4S MolecularWeight: 513.04816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27ClN2S.C2H2O4/c26-23-13-11-22(12-14-23)25(21-7-3-1-4-8-21)29-20-19-27-15-17-28(18-16-27)24-9-5-2-6-10-24;3-1(4)2(5)6/h1-14,25H,15-20H2;(H,3,4)(H,5,6)