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

Systemtic Name: 6,8-bis(bromanyl)-3-(4-chlorophenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-3-(1-piperidylmethyl)chroman-4-one CAS Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-3-(piperidinomethyl)chroman-4-one Formula: C21H20Br2ClNO2S MolecularWeight: 545.715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20Br2ClNO2S/c22-14-10-17-19(18(23)11-14)27-13-21(20(17)26,12-25-8-2-1-3-9-25)28-16-6-4-15(24)5-7-16/h4-7,10-11H,1-3,8-9,12-13H2