N-[2-(butan-2-ylcarbamoyl)phenyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-3-methyl-N-[2-(sec-butylcarbamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-3-methyl-N-[2-(sec-butylcarbamoyl)phenyl]benzothiophene-2-carboxamide Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(C=CC=C3S2)F)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(C=CC=C3S2)F)C

InChI

InChI=1S/C21H21FN2O2S/c1-4-12(2)23-20(25)14-8-5-6-10-16(14)24-21(26)19-13(3)18-15(22)9-7-11-17(18)27-19/h5-12H,4H2,1-3H3,(H,23,25)(H,24,26)