3-chloranyl-6-fluoranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[3-(isobutyrylamino)benzyl]benzothiophene-2-carboxamide Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFN2O2S/c1-11(2)19(25)24-14-5-3-4-12(8-14)10-23-20(26)18-17(21)15-7-6-13(22)9-16(15)27-18/h3-9,11H,10H2,1-2H3,(H,23,26)(H,24,25)