1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]-4-(phenylmethyl)piperazine

Systemtic Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]piperazine CAS Name: 1-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]piperazine Traditional Name: 1-benzyl-4-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]piperazine Formula: C30H33ClN4S MolecularWeight: 517.12782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)SC(CCC4=CC=C(C=C4)Cl)CN5C=CN=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)SC(CCC4=CC=C(C=C4)Cl)CN5C=CN=C5

InChI

InChI=1S/C30H33ClN4S/c31-27-9-6-25(7-10-27)8-13-30(23-34-17-16-32-24-34)36-29-14-11-28(12-15-29)35-20-18-33(19-21-35)22-26-4-2-1-3-5-26/h1-7,9-12,14-17,24,30H,8,13,18-23H2