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

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[(E)-1-[4-(1-oxopropylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[(E)-1-(4-propionamidophenyl)ethylideneamino]benzothiophene-2-carboxamide Formula: C20H17ClFN3O2S MolecularWeight: 417.884283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN3O2S/c1-3-17(26)23-14-7-4-12(5-8-14)11(2)24-25-20(27)19-18(21)15-9-6-13(22)10-16(15)28-19/h4-10H,3H2,1-2H3,(H,23,26)(H,25,27)/b24-11+