[4-[[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-fluoro-3-(phenoxymethyl)benzothiophene-2-carbonyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-fluoro-3-(phenoxymethyl)benzothiophene-2-carbonyl]piperazino]-phenyl-methanone Formula: C27H23FN2O3S MolecularWeight: 474.546523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

InChI

InChI=1S/C27H23FN2O3S/c28-22-12-7-13-23-24(22)21(18-33-20-10-5-2-6-11-20)25(34-23)27(32)30-16-14-29(15-17-30)26(31)19-8-3-1-4-9-19/h1-13H,14-18H2