4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-3-yl)methyl-methyl-amino]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-3-yl)methyl-methyl-amino]-1-(4-fluorophenyl)butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[(6-fluorothiochroman-3-yl)methyl-methyl-amino]butan-1-one CAS Name: 4-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-3-yl)methyl-methylamino]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl-methylamino]-1-(4-fluorophenyl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(6-fluorothiochroman-3-yl)methyl-methyl-amino]butan-1-one Formula: C21H23F2NOS MolecularWeight: 375.475226

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)C1=CC=C(C=C1)F)CC2CC3=C(C=CC(=C3)F)SC2

Isomeric SMILES

CN(CCCC(=O)C1=CC=C(C=C1)F)CC2CC3=C(C=CC(=C3)F)SC2

InChI

InChI=1S/C21H23F2NOS/c1-24(10-2-3-20(25)16-4-6-18(22)7-5-16)13-15-11-17-12-19(23)8-9-21(17)26-14-15/h4-9,12,15H,2-3,10-11,13-14H2,1H3