N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-fluoro-benzothiophene-2-carboxamide Formula: C22H24FN3OS MolecularWeight: 397.508863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F)C

InChI

InChI=1S/C22H24FN3OS/c1-3-25-9-11-26(12-10-25)16-7-8-19(15(2)13-16)24-22(27)21-14-17-18(23)5-4-6-20(17)28-21/h4-8,13-14H,3,9-12H2,1-2H3,(H,24,27)