N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanamide

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H26BrN3O2S/c1-14(28)25-18-4-2-17(3-5-18)19-12-30-21(26-19)27-20(29)11-22-7-15-6-16(8-22)10-23(24,9-15)13-22/h2-5,12,15-16H,6-11,13H2,1H3,(H,25,28)(H,26,27,29)/t15-,16+,22?,23?