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

Systemtic Name: 4-fluoranyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[4-(3-oxopiperazin-1-yl)phenyl]-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[4-(3-oxo-1-piperazinyl)phenyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[4-(3-oxopiperazin-1-yl)phenyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[4-(3-ketopiperazino)phenyl]-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C26H22FN3O3S MolecularWeight: 475.534583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

InChI

InChI=1S/C26H22FN3O3S/c27-21-7-4-8-22-24(21)20(16-33-19-5-2-1-3-6-19)25(34-22)26(32)29-17-9-11-18(12-10-17)30-14-13-28-23(31)15-30/h1-12H,13-16H2,(H,28,31)(H,29,32)