(E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-1-[4-(1-piperidyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-1-[4-(1-piperidinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1-(4-piperidinophenyl)prop-2-en-1-one Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N3CCCCC3)CSC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3CCCCC3)CSC4=CC=CC=N4

InChI

InChI=1S/C27H28N2O2S/c1-31-26-15-9-21(19-23(26)20-32-27-7-3-4-16-28-27)8-14-25(30)22-10-12-24(13-11-22)29-17-5-2-6-18-29/h3-4,7-16,19H,2,5-6,17-18,20H2,1H3/b14-8+