N-[3-(4-bromophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-(4-bromophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide CAS Name: N-[3-[(4-bromophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide IUPAC Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide Traditional Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide Formula: C22H17BrFNO2S MolecularWeight: 458.343283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrFNO2S/c23-14-11-9-13(10-12-14)20(26)19-16-6-2-4-8-18(16)28-22(19)25-21(27)15-5-1-3-7-17(15)24/h1,3,5,7,9-12H,2,4,6,8H2,(H,25,27)