N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C23H19FN4O3S MolecularWeight: 450.485363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)F

InChI

InChI=1S/C23H19FN4O3S/c1-13-16-5-3-4-6-17(16)22(31)28(13)10-9-21(30)27-23-26-20(12-32-23)18-8-7-15(11-19(18)24)25-14(2)29/h3-8,11-12H,1,9-10H2,2H3,(H,25,29)(H,26,27,30)