1-(4-tert-butylphenyl)-2-[4-(2-quinolin-4-ylsulfanylethanoyl)phenoxy]ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[4-(2-quinolin-4-ylsulfanylethanoyl)phenoxy]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[4-[2-(4-quinolylsulfanyl)acetyl]phenoxy]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenoxy]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[4-(2-quinolin-4-ylsulfanylacetyl)phenoxy]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[4-[2-(4-quinolylthio)acetyl]phenoxy]ethanone Formula: C29H27NO3S MolecularWeight: 469.59458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C29H27NO3S/c1-29(2,3)22-12-8-20(9-13-22)26(31)18-33-23-14-10-21(11-15-23)27(32)19-34-28-16-17-30-25-7-5-4-6-24(25)28/h4-17H,18-19H2,1-3H3