N-[4-(4-octanoylpiperazin-1-yl)phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(4-caprylylpiperazino)phenyl]-2-(phenylthio)acetamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O2S/c1-2-3-4-5-9-12-26(31)29-19-17-28(18-20-29)23-15-13-22(14-16-23)27-25(30)21-32-24-10-7-6-8-11-24/h6-8,10-11,13-16H,2-5,9,12,17-21H2,1H3,(H,27,30)