N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-cyclohexylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H32N4OS/c32-26(20-33-25-10-4-6-21-7-5-15-28-27(21)25)29-22-11-13-24(14-12-22)31-18-16-30(17-19-31)23-8-2-1-3-9-23/h4-7,10-15,23H,1-3,8-9,16-20H2,(H,29,32)