6-[4-(4-bromanyl-3-methyl-phenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[4-(4-bromanyl-3-methyl-phenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(4-bromo-3-methyl-phenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[4-[(4-bromo-3-methylphenyl)thio]butoxy]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(4-bromo-3-methylphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-[(4-bromo-3-methyl-phenyl)thio]butoxy]-3,4-dihydrocarbostyril Formula: C20H22BrNO2S MolecularWeight: 420.36318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)CC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)CC3)Br

InChI

InChI=1S/C20H22BrNO2S/c1-14-12-17(6-7-18(14)21)25-11-3-2-10-24-16-5-8-19-15(13-16)4-9-20(23)22-19/h5-8,12-13H,2-4,9-11H2,1H3,(H,22,23)