N-[2,6-di(propan-2-yl)phenyl]-2-[12-(4-phenylpiperazin-1-yl)dodecylsulfanyl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[12-(4-phenylpiperazin-1-yl)dodecylsulfanyl]ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[12-(4-phenylpiperazin-1-yl)dodecylsulfanyl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[12-(4-phenyl-1-piperazinyl)dodecylthio]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[12-(4-phenylpiperazin-1-yl)dodecylsulfanyl]acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[12-(4-phenylpiperazino)dodecylthio]acetamide Formula: C36H57N3OS MolecularWeight: 579.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSCCCCCCCCCCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSCCCCCCCCCCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C36H57N3OS/c1-30(2)33-21-18-22-34(31(3)4)36(33)37-35(40)29-41-28-17-12-10-8-6-5-7-9-11-16-23-38-24-26-39(27-25-38)32-19-14-13-15-20-32/h13-15,18-22,30-31H,5-12,16-17,23-29H2,1-4H3,(H,37,40)