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

Systemtic Name: 2-[3-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[3-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[3-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[3-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]quinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[3-[4-(4-pivaloylpiperazino)phenyl]-2-quinolyl]thio]acetaldehyde Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C26H29N3O2S/c1-26(2,3)25(31)29-14-12-28(13-15-29)21-10-8-19(9-11-21)22-18-20-6-4-5-7-23(20)27-24(22)32-17-16-30/h4-11,16,18H,12-15,17H2,1-3H3