N-[3-(cyclopropylcarbonylamino)phenyl]-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbonylamino)phenyl]-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(cyclopropanecarbonylamino)phenyl]-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(cyclopropanecarbonylamino)phenyl]-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)phenyl]-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C26H21FN2O3S MolecularWeight: 460.519943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

InChI

InChI=1S/C26H21FN2O3S/c27-21-10-5-11-22-23(21)20(15-32-19-8-2-1-3-9-19)24(33-22)26(31)29-18-7-4-6-17(14-18)28-25(30)16-12-13-16/h1-11,14,16H,12-13,15H2,(H,28,30)(H,29,31)