3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(3-chloro-4-fluorophenyl)-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(3-chloro-4-fluorophenyl)-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(SC2=NC3=C1C(=O)CC(C3)(C)C)C(=O)NC4=CC(=C(C=C4)F)Cl)N

Isomeric SMILES

CCC1=C2C(=C(SC2=NC3=C1C(=O)CC(C3)(C)C)C(=O)NC4=CC(=C(C=C4)F)Cl)N

InChI

InChI=1S/C22H21ClFN3O2S/c1-4-11-16-14(8-22(2,3)9-15(16)28)27-21-17(11)18(25)19(30-21)20(29)26-10-5-6-13(24)12(23)7-10/h5-7H,4,8-9,25H2,1-3H3,(H,26,29)