4-[4-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-thiophen-2-ylbutan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(1-imidazol-1-yl-4-thiophen-2-ylbutan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C22H26N4OS2 MolecularWeight: 426.59804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=CS3)CN4C=CN=C4

Isomeric SMILES

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=CS3)CN4C=CN=C4

InChI

InChI=1S/C22H26N4OS2/c27-18-24-11-13-26(14-12-24)19-3-5-21(6-4-19)29-22(16-25-10-9-23-17-25)8-7-20-2-1-15-28-20/h1-6,9-10,15,17-18,22H,7-8,11-14,16H2