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

Systemtic Name: 6,8-bis(bromanyl)-3-phenylsulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-phenylsulfanyl-3-(1-piperidylmethyl)chroman-4-one CAS Name: 6,8-dibromo-3-(phenylthio)-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-phenylsulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-(phenylthio)-3-(piperidinomethyl)chroman-4-one Formula: C21H21Br2NO2S MolecularWeight: 511.26994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Br2NO2S/c22-15-11-17-19(18(23)12-15)26-14-21(20(17)25,13-24-9-5-2-6-10-24)27-16-7-3-1-4-8-16/h1,3-4,7-8,11-12H,2,5-6,9-10,13-14H2