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

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4

InChI

InChI=1S/C21H19FN2O3S/c22-16-7-4-8-17-19(16)15(12-27-14-5-2-1-3-6-14)20(28-17)21(26)23-11-18(25)24-13-9-10-13/h1-8,13H,9-12H2,(H,23,26)(H,24,25)