2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(bromanyl)phenyl]propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(bromanyl)phenyl]propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dibromophenyl)propanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2,4-dibromophenyl)propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dibromophenyl)propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2,4-dibromophenyl)propionamide Formula: C16H12Br2N2O2S MolecularWeight: 456.15168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)Br)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)Br)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H12Br2N2O2S/c1-9(15(21)19-12-7-6-10(17)8-11(12)18)23-16-20-13-4-2-3-5-14(13)22-16/h2-9H,1H3,(H,19,21)