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

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[4-(3-methylbutanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[4-(3-methylbutanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[4-(3-methylbutanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[4-(isovalerylamino)phenyl]benzothiophene-2-carboxamide Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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