N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-bromanyl-4-fluoranyl-benzamide

Systemtic Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-bromanyl-4-fluoranyl-benzamide Openeye Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-2-bromo-4-fluoro-benzamide CAS Name: N-[4-[4-(2-acetamidoethyl)phenyl]-2-thiazolyl]-2-bromo-4-fluorobenzamide IUPAC Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-bromo-4-fluorobenzamide Traditional Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-2-bromo-4-fluoro-benzamide Formula: C20H17BrFN3O2S MolecularWeight: 462.335283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H17BrFN3O2S/c1-12(26)23-9-8-13-2-4-14(5-3-13)18-11-28-20(24-18)25-19(27)16-7-6-15(22)10-17(16)21/h2-7,10-11H,8-9H2,1H3,(H,23,26)(H,24,25,27)