N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[5-chloro-2-(4-methylpiperazino)phenyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C

InChI

InChI=1S/C21H21ClFN3OS/c1-13-19-15(23)4-3-5-18(19)28-20(13)21(27)24-16-12-14(22)6-7-17(16)26-10-8-25(2)9-11-26/h3-7,12H,8-11H2,1-2H3,(H,24,27)