N-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylpiperazin-1-yl)heptylsulfanyl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylpiperazin-1-yl)heptylsulfanyl]ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[7-(4-phenylpiperazin-1-yl)heptylsulfanyl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenyl-1-piperazinyl)heptylthio]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylpiperazin-1-yl)heptylsulfanyl]acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[7-(4-phenylpiperazino)heptylthio]acetamide Formula: C31H47N3OS MolecularWeight: 509.78938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSCCCCCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSCCCCCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C31H47N3OS/c1-25(2)28-16-13-17-29(26(3)4)31(28)32-30(35)24-36-23-12-7-5-6-11-18-33-19-21-34(22-20-33)27-14-9-8-10-15-27/h8-10,13-17,25-26H,5-7,11-12,18-24H2,1-4H3,(H,32,35)