4-fluoranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[3-(2-oxo-1-azepanyl)propyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[3-(2-ketoazepan-1-yl)propyl]-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C25H27FN2O3S MolecularWeight: 454.556883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4

InChI

InChI=1S/C25H27FN2O3S/c26-20-11-7-12-21-23(20)19(17-31-18-9-3-1-4-10-18)24(32-21)25(30)27-14-8-16-28-15-6-2-5-13-22(28)29/h1,3-4,7,9-12H,2,5-6,8,13-17H2,(H,27,30)