2-[3-bromanyl-4-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[3-bromanyl-4-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[3-bromo-4-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[3-bromo-4-[4-[4-(2,2-dimethylpropyl)-1-piperazinyl]phenyl]-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[3-bromo-4-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]quinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[3-bromo-4-[4-(4-neopentylpiperazino)phenyl]-2-quinolyl]thio]acetaldehyde Formula: C26H30BrN3OS MolecularWeight: 512.5049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C(=NC4=CC=CC=C43)SCC=O)Br

Isomeric SMILES

CC(C)(C)CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C(=NC4=CC=CC=C43)SCC=O)Br

InChI

InChI=1S/C26H30BrN3OS/c1-26(2,3)18-29-12-14-30(15-13-29)20-10-8-19(9-11-20)23-21-6-4-5-7-22(21)28-25(24(23)27)32-17-16-31/h4-11,16H,12-15,17-18H2,1-3H3