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

Systemtic Name: 2-[3-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[3-[4-(4-isobutylpiperazin-1-yl)phenyl]-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[3-[4-[4-(2-methylpropyl)-1-piperazinyl]phenyl]-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[3-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]quinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[3-[4-(4-isobutylpiperazino)phenyl]-2-quinolyl]thio]acetaldehyde Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C25H29N3OS/c1-19(2)18-27-11-13-28(14-12-27)22-9-7-20(8-10-22)23-17-21-5-3-4-6-24(21)26-25(23)30-16-15-29/h3-10,15,17,19H,11-14,16,18H2,1-2H3