3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide

Systemtic Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide Openeye Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide CAS Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]-N-(4-fluorophenyl)propanamide IUPAC Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide Traditional Name: 3-[(3-cyano-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]-N-(4-fluorophenyl)propionamide Formula: C23H24FN3O2S MolecularWeight: 425.518963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C23H24FN3O2S/c1-4-16-17(13-25)22(27-18-11-23(2,3)12-19(28)21(16)18)30-10-9-20(29)26-15-7-5-14(24)6-8-15/h5-8H,4,9-12H2,1-3H3,(H,26,29)