N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-allyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-allyl-1,3-diketo-isoindoline-5-carboxamide Formula: C23H17FN4O4S MolecularWeight: 464.468883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C)F

InChI

InChI=1S/C23H17FN4O4S/c1-3-8-28-21(31)15-6-4-13(9-17(15)22(28)32)20(30)27-23-26-19(11-33-23)16-7-5-14(10-18(16)24)25-12(2)29/h3-7,9-11H,1,8H2,2H3,(H,25,29)(H,26,27,30)