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

Systemtic Name: 4-[4-(1-imidazol-1-yl-4-phenyl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-phenylbutan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(1-imidazol-1-yl-4-phenylbutan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C24H28N4OS/c29-20-26-14-16-28(17-15-26)22-7-10-23(11-8-22)30-24(18-27-13-12-25-19-27)9-6-21-4-2-1-3-5-21/h1-5,7-8,10-13,19-20,24H,6,9,14-18H2