(E)-1-phenyl-3-[4-(6-piperazin-1-ylhexylsulfanyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[4-(6-piperazin-1-ylhexylsulfanyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[4-(6-piperazin-1-ylhexylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-[6-(1-piperazinyl)hexylthio]phenyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[4-(6-piperazin-1-ylhexylsulfanyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(6-piperazinohexylthio)phenyl]prop-2-en-1-one Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCCCSC2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)CCCCCCSC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2OS/c28-25(23-8-4-3-5-9-23)15-12-22-10-13-24(14-11-22)29-21-7-2-1-6-18-27-19-16-26-17-20-27/h3-5,8-15,26H,1-2,6-7,16-21H2/b15-12+