6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-4-one

Systemtic Name: 6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-[(3-methyl-1-piperidyl)methyl]-3-(p-tolylsulfanyl)chroman-4-one CAS Name: 6,8-dibromo-3-[(4-methylphenyl)thio]-3-[(3-methyl-1-piperidinyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-methylphenyl)sulfanyl-3-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(3-methylpiperidino)methyl]-3-(p-tolylthio)chroman-4-one Formula: C23H25Br2NO2S MolecularWeight: 539.3231

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)SC4=CC=C(C=C4)C

Isomeric SMILES

CC1CCCN(C1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)SC4=CC=C(C=C4)C

InChI

InChI=1S/C23H25Br2NO2S/c1-15-5-7-18(8-6-15)29-23(13-26-9-3-4-16(2)12-26)14-28-21-19(22(23)27)10-17(24)11-20(21)25/h5-8,10-11,16H,3-4,9,12-14H2,1-2H3