6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: 6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-(1-piperidylmethyl)-3-(p-tolylsulfanyl)chroman-4-one CAS Name: 6,8-dibromo-3-[(4-methylphenyl)thio]-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-methylphenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-(piperidinomethyl)-3-(p-tolylthio)chroman-4-one Formula: C22H23Br2NO2S MolecularWeight: 525.29652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2=O)Br)Br)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2=O)Br)Br)CN4CCCCC4

InChI

InChI=1S/C22H23Br2NO2S/c1-15-5-7-17(8-6-15)28-22(13-25-9-3-2-4-10-25)14-27-20-18(21(22)26)11-16(23)12-19(20)24/h5-8,11-12H,2-4,9-10,13-14H2,1H3