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

Systemtic Name: 6,8-bis(bromanyl)-3-(4-chlorophenyl)sulfanyl-3-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-3-[(3-methyl-1-piperidyl)methyl]chroman-4-one CAS Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-3-[(3-methyl-1-piperidinyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-(4-chlorophenyl)sulfanyl-3-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(4-chlorophenyl)thio]-3-[(3-methylpiperidino)methyl]chroman-4-one Formula: C22H22Br2ClNO2S MolecularWeight: 559.74158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22Br2ClNO2S/c1-14-3-2-8-26(11-14)12-22(29-17-6-4-16(25)5-7-17)13-28-20-18(21(22)27)9-15(23)10-19(20)24/h4-7,9-10,14H,2-3,8,11-13H2,1H3