N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-5-bromanyl-2-fluoranyl-benzamide

Systemtic Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-5-bromanyl-2-fluoranyl-benzamide Openeye Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-5-bromo-2-fluoro-benzamide CAS Name: N-[4-[4-(3-acetamidopropyl)phenyl]-2-thiazolyl]-5-bromo-2-fluorobenzamide IUPAC Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-5-bromo-2-fluorobenzamide Traditional Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-5-bromo-2-fluoro-benzamide Formula: C21H19BrFN3O2S MolecularWeight: 476.361863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H19BrFN3O2S/c1-13(27)24-10-2-3-14-4-6-15(7-5-14)19-12-29-21(25-19)26-20(28)17-11-16(22)8-9-18(17)23/h4-9,11-12H,2-3,10H2,1H3,(H,24,27)(H,25,26,28)