6,8-bis(bromanyl)-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: 6,8-bis(bromanyl)-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(1-piperidylmethyl)chroman-4-one CAS Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(piperidinomethyl)chroman-4-one Formula: C22H22Br2ClNO2S MolecularWeight: 559.74158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)OCC(C2=O)(CN3CCCCC3)SC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CC1=C(C=C2C(=C1Br)OCC(C2=O)(CN3CCCCC3)SC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C22H22Br2ClNO2S/c1-14-18(23)11-17-20(19(14)24)28-13-22(21(17)27,12-26-9-3-2-4-10-26)29-16-7-5-15(25)6-8-16/h5-8,11H,2-4,9-10,12-13H2,1H3