1-(4-methylsulfanylphenyl)-4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]butane-1,4-dione Openeye Name: 1-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-[hydroxy(diphenyl)methyl]piperidino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C29H31NO3S/c1-34-26-14-12-22(13-15-26)27(31)16-17-28(32)30-20-18-25(19-21-30)29(33,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,33H,16-21H2,1H3