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

Systemtic Name: 4-[4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C=O

InChI

InChI=1S/C25H30N4O2S/c1-31-23-7-2-21(3-8-23)4-9-25(18-28-13-12-26-19-28)32-24-10-5-22(6-11-24)29-16-14-27(20-30)15-17-29/h2-3,5-8,10-13,19-20,25H,4,9,14-18H2,1H3