4-fluoranyl-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-3-methyl-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-3-methyl-N-[3-methyl-4-(4-methylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)C)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)C)N4CCN(CC4)C

InChI

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