2-[(5S,7R)-3-bromanyl-1-adamantyl]-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone Formula: C22H27BrN2OS MolecularWeight: 447.43158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=NC2=CC=CC=C2)SC1)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(C(=NC2=CC=CC=C2)SC1)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H27BrN2OS/c23-22-12-16-9-17(13-22)11-21(10-16,15-22)14-19(26)25-7-4-8-27-20(25)24-18-5-2-1-3-6-18/h1-3,5-6,16-17H,4,7-15H2/t16-,17+,21?,22?