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

Systemtic Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-[4-(1-piperidyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-1-[4-(1-piperidinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-1-(4-piperidinophenyl)prop-2-en-1-one Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)N3CCCCC3)CSC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)N3CCCCC3)CSC4=CC=CC=C4

InChI

InChI=1S/C28H29NO2S/c1-31-28-20-22(10-12-24(28)21-32-26-8-4-2-5-9-26)11-17-27(30)23-13-15-25(16-14-23)29-18-6-3-7-19-29/h2,4-5,8-17,20H,3,6-7,18-19,21H2,1H3/b17-11+