3-bromanyl-4-[2-(2,3,6-trimethylphenoxy)ethoxy]benzenecarbothioamide

Systemtic Name: 3-bromanyl-4-[2-(2,3,6-trimethylphenoxy)ethoxy]benzenecarbothioamide Openeye Name: 3-bromo-4-[2-(2,3,6-trimethylphenoxy)ethoxy]benzenecarbothioamide CAS Name: 3-bromo-4-[2-(2,3,6-trimethylphenoxy)ethoxy]benzenecarbothioamide IUPAC Name: 3-bromo-4-[2-(2,3,6-trimethylphenoxy)ethoxy]benzenecarbothioamide Traditional Name: 3-bromo-4-[2-(2,3,6-trimethylphenoxy)ethoxy]thiobenzamide Formula: C18H20BrNO2S MolecularWeight: 394.3259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCOC2=C(C=C(C=C2)C(=S)N)Br)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCOC2=C(C=C(C=C2)C(=S)N)Br)C

InChI

InChI=1S/C18H20BrNO2S/c1-11-4-5-12(2)17(13(11)3)22-9-8-21-16-7-6-14(18(20)23)10-15(16)19/h4-7,10H,8-9H2,1-3H3,(H2,20,23)