3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-8-ethyl-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-8-ethyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-8-ethyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(3-chloro-4-fluorophenyl)-8-ethyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(3-chloro-4-fluorophenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-8-ethyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C20H15ClFN3OS MolecularWeight: 399.869003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCC1=CC=CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H15ClFN3OS/c1-2-10-4-3-5-11-8-13-16(23)18(27-20(13)25-17(10)11)19(26)24-12-6-7-15(22)14(21)9-12/h3-9H,2,23H2,1H3,(H,24,26)