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

Systemtic Name: S-(4-methylsulfanylphenyl) N-[2,3-bis(bromanyl)propyl]carbamothioate Openeye Name: S-(4-methylsulfanylphenyl) N-(2,3-dibromopropyl)carbamothioate CAS Name: N-(2,3-dibromopropyl)carbamothioic acid S-[4-(methylthio)phenyl] ester IUPAC Name: S-(4-methylsulfanylphenyl) N-(2,3-dibromopropyl)carbamothioate Traditional Name: N-(2,3-dibromopropyl)thiocarbamic acid S-[4-(methylthio)phenyl] ester Formula: C11H13Br2NOS2 MolecularWeight: 399.16502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)SC(=O)NCC(CBr)Br

Isomeric SMILES

CSC1=CC=C(C=C1)SC(=O)NCC(CBr)Br

InChI

InChI=1S/C11H13Br2NOS2/c1-16-9-2-4-10(5-3-9)17-11(15)14-7-8(13)6-12/h2-5,8H,6-7H2,1H3,(H,14,15)