3-chloranyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-ethyl-1-piperazinyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-ethylpiperazino)phenyl]-6-fluoro-benzothiophene-2-carboxamide Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

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