6,8-bis(bromanyl)-7-methyl-3-[(3-methylpiperidin-1-yl)methyl]-3-phenylsulfanyl-2H-chromen-4-one

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3-[(3-methylpiperidin-1-yl)methyl]-3-phenylsulfanyl-2H-chromen-4-one Openeye Name: 6,8-dibromo-7-methyl-3-[(3-methyl-1-piperidyl)methyl]-3-phenylsulfanyl-chroman-4-one CAS Name: 6,8-dibromo-7-methyl-3-[(3-methyl-1-piperidinyl)methyl]-3-(phenylthio)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-7-methyl-3-[(3-methylpiperidin-1-yl)methyl]-3-phenylsulfanyl-2H-chromen-4-one Traditional Name: 6,8-dibromo-7-methyl-3-[(3-methylpiperidino)methyl]-3-(phenylthio)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)C)Br)SC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25Br2NO2S/c1-15-7-6-10-26(12-15)13-23(29-17-8-4-3-5-9-17)14-28-21-18(22(23)27)11-19(24)16(2)20(21)25/h3-5,8-9,11,15H,6-7,10,12-14H2,1-2H3