2,2-dimethyl-1-[4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperidin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperidin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]-1-piperidyl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperidinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperidin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperidino]propan-1-one Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C27H30N2O2S/c1-27(2,3)26(31)29-16-13-20(14-17-29)19-8-10-21(11-9-19)24(30)18-32-25-12-15-28-23-7-5-4-6-22(23)25/h4-12,15,20H,13-14,16-18H2,1-3H3