N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-pivaloylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H30N4O2S/c1-26(2,3)25(32)30-16-14-29(15-17-30)21-11-9-20(10-12-21)28-23(31)18-33-22-8-4-6-19-7-5-13-27-24(19)22/h4-13H,14-18H2,1-3H3,(H,28,31)