S-(4-tert-butylphenyl) N-[2,3-bis(bromanyl)propyl]carbamothioate

Systemtic Name: S-(4-tert-butylphenyl) N-[2,3-bis(bromanyl)propyl]carbamothioate Openeye Name: S-(4-tert-butylphenyl) N-(2,3-dibromopropyl)carbamothioate CAS Name: N-(2,3-dibromopropyl)carbamothioic acid S-(4-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) N-(2,3-dibromopropyl)carbamothioate Traditional Name: N-(2,3-dibromopropyl)thiocarbamic acid S-(4-tert-butylphenyl) ester Formula: C14H19Br2NOS MolecularWeight: 409.17976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(=O)NCC(CBr)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(=O)NCC(CBr)Br

InChI

InChI=1S/C14H19Br2NOS/c1-14(2,3)10-4-6-12(7-5-10)19-13(18)17-9-11(16)8-15/h4-7,11H,8-9H2,1-3H3,(H,17,18)