N-[(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-(4-fluorophenyl)sulfanyl-N-methyl-butanamide

Systemtic Name: N-[(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-(4-fluorophenyl)sulfanyl-N-methyl-butanamide Openeye Name: N-[(5-bromo-2,3-dihydrobenzofuran-7-yl)methyl]-4-(4-fluorophenyl)sulfanyl-N-methyl-butanamide CAS Name: N-[(5-bromo-2,3-dihydrobenzofuran-7-yl)methyl]-4-[(4-fluorophenyl)thio]-N-methylbutanamide IUPAC Name: N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-(4-fluorophenyl)sulfanyl-N-methylbutanamide Traditional Name: N-[(5-bromocoumaran-7-yl)methyl]-4-[(4-fluorophenyl)thio]-N-methyl-butyramide Formula: C20H21BrFNO2S MolecularWeight: 438.353643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C(=CC(=C1)Br)CCO2)C(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=C2C(=CC(=C1)Br)CCO2)C(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21BrFNO2S/c1-23(13-15-12-16(21)11-14-8-9-25-20(14)15)19(24)3-2-10-26-18-6-4-17(22)5-7-18/h4-7,11-12H,2-3,8-10,13H2,1H3