2-(3-bromanylphenoxy)ethyl N'-butylcarbamimidothioate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl N'-butylcarbamimidothioate Openeye Name: 2-[2-(3-bromophenoxy)ethyl]-3-butyl-isothiourea CAS Name: N'-butylcarbamimidothioic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl N'-butylcarbamimidothioate Traditional Name: 2-[2-(3-bromophenoxy)ethyl]-3-butyl-isothiourea Formula: C13H19BrN2OS MolecularWeight: 331.27176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCCOC1=CC(=CC=C1)Br

Isomeric SMILES

CCCCN=C(N)SCCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H19BrN2OS/c1-2-3-7-16-13(15)18-9-8-17-12-6-4-5-11(14)10-12/h4-6,10H,2-3,7-9H2,1H3,(H2,15,16)