4-[[4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]phenyl]methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]phenyl]methyl]piperazine-1-carbaldehyde Openeye Name: 4-[[4-[(7-methylsulfanyl-4-quinolyl)sulfanylmethyl]phenyl]methyl]piperazine-1-carbaldehyde CAS Name: 4-[[4-[[[7-(methylthio)-4-quinolinyl]thio]methyl]phenyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]phenyl]methyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[[7-(methylthio)-4-quinolyl]thio]methyl]benzyl]piperazine-1-carbaldehyde Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC=CC(=C2C=C1)SCC3=CC=C(C=C3)CN4CCN(CC4)C=O

Isomeric SMILES

CSC1=CC2=NC=CC(=C2C=C1)SCC3=CC=C(C=C3)CN4CCN(CC4)C=O

InChI

InChI=1S/C23H25N3OS2/c1-28-20-6-7-21-22(14-20)24-9-8-23(21)29-16-19-4-2-18(3-5-19)15-25-10-12-26(17-27)13-11-25/h2-9,14,17H,10-13,15-16H2,1H3