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

Systemtic Name: (E)-1-phenyl-3-[4-(6-piperidin-1-ylhexylsulfanyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[4-[6-(1-piperidyl)hexylsulfanyl]phenyl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-[6-(1-piperidinyl)hexylthio]phenyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[4-(6-piperidin-1-ylhexylsulfanyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(6-piperidinohexylthio)phenyl]prop-2-en-1-one Formula: C26H33NOS MolecularWeight: 407.61132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCCSC2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCCCCCSC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H33NOS/c28-26(24-11-5-3-6-12-24)18-15-23-13-16-25(17-14-23)29-22-10-2-1-7-19-27-20-8-4-9-21-27/h3,5-6,11-18H,1-2,4,7-10,19-22H2/b18-15+