2-[(2,4-dimethylphenyl)amino]-5-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[(2,4-dimethylphenyl)amino]-5-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(2,4-dimethylanilino)-5-[(3-fluoro-4-pyrrolidin-1-yl-phenyl)methylene]thiazol-4-one CAS Name: 2-(2,4-dimethylanilino)-5-[[3-fluoro-4-(1-pyrrolidinyl)phenyl]methylidene]-4-thiazolone IUPAC Name: 2-(2,4-dimethylanilino)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(2,4-dimethylanilino)-5-(3-fluoro-4-pyrrolidino-benzylidene)-2-thiazolin-4-one Formula: C22H22FN3OS MolecularWeight: 395.492983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)F)S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)F)S2)C

InChI

InChI=1S/C22H22FN3OS/c1-14-5-7-18(15(2)11-14)24-22-25-21(27)20(28-22)13-16-6-8-19(17(23)12-16)26-9-3-4-10-26/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,25,27)