N-tert-butyl-4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

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