5-[(4-bromophenyl)methyl]-7-butylsulfanyl-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-7-butylsulfanyl-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-one Openeye Name: 5-[(4-bromophenyl)methyl]-7-butylsulfanyl-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-one CAS Name: 5-[(4-bromophenyl)methyl]-7-(butylthio)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-one IUPAC Name: 5-[(4-bromophenyl)methyl]-7-butylsulfanyl-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-one Traditional Name: 5-(4-bromobenzyl)-7-(butylthio)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-one Formula: C22H22BrNO3S MolecularWeight: 460.38398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C2=CC3=C(C=C2N(C1=O)CC4=CC=C(C=C4)Br)OCO3)C

Isomeric SMILES

CCCCSC1=C(C2=CC3=C(C=C2N(C1=O)CC4=CC=C(C=C4)Br)OCO3)C

InChI

InChI=1S/C22H22BrNO3S/c1-3-4-9-28-21-14(2)17-10-19-20(27-13-26-19)11-18(17)24(22(21)25)12-15-5-7-16(23)8-6-15/h5-8,10-11H,3-4,9,12-13H2,1-2H3