N-(2-benzamidoethyl)-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzamidoethyl)-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: N-(2-benzamidoethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzamidoethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(2-benzamidoethyl)-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN2O3S/c26-20-12-7-13-21-22(20)19(16-31-18-10-5-2-6-11-18)23(32-21)25(30)28-15-14-27-24(29)17-8-3-1-4-9-17/h1-13H,14-16H2,(H,27,29)(H,28,30)