N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide Formula: C22H22FNO3S MolecularWeight: 399.478383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC(C3=CC4=C(C=C3)OCCO4)C(C)C

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC(C3=CC4=C(C=C3)OCCO4)C(C)C

InChI

InChI=1S/C22H22FNO3S/c1-12(2)20(14-7-8-16-17(11-14)27-10-9-26-16)24-22(25)21-13(3)19-15(23)5-4-6-18(19)28-21/h4-8,11-12,20H,9-10H2,1-3H3,(H,24,25)