1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-4-[3-(trifluoromethyl)phenoxy]butan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-4-[3-(trifluoromethyl)phenoxy]butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-[3-(trifluoromethyl)phenoxy]butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-4-[3-(trifluoromethyl)phenoxy]-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-[3-(trifluoromethyl)phenoxy]butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-[3-(trifluoromethyl)phenoxy]butan-1-one Formula: C20H24F3NO3S MolecularWeight: 415.46967

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC=CC(=C2)C(F)(F)F)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC=CC(=C2)C(F)(F)F)(CO)N

InChI

InChI=1S/C20H24F3NO3S/c1-19(24,13-25)10-9-16-7-8-18(28-16)17(26)6-3-11-27-15-5-2-4-14(12-15)20(21,22)23/h2,4-5,7-8,12,25H,3,6,9-11,13,24H2,1H3