N-[1-(3-acetamidophenyl)ethyl]-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-(3-acetamidophenyl)ethyl]-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C26H23FN2O3S MolecularWeight: 462.535823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4

InChI

InChI=1S/C26H23FN2O3S/c1-16(18-8-6-9-19(14-18)29-17(2)30)28-26(31)25-21(15-32-20-10-4-3-5-11-20)24-22(27)12-7-13-23(24)33-25/h3-14,16H,15H2,1-2H3,(H,28,31)(H,29,30)