5-bromanyl-2-[2-(3,5-dimethylphenoxy)ethoxy]benzenecarbothioamide

Systemtic Name: 5-bromanyl-2-[2-(3,5-dimethylphenoxy)ethoxy]benzenecarbothioamide Openeye Name: 5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]benzenecarbothioamide CAS Name: 5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]benzenecarbothioamide IUPAC Name: 5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]benzenecarbothioamide Traditional Name: 5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]thiobenzamide Formula: C17H18BrNO2S MolecularWeight: 380.29932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2S/c1-11-7-12(2)9-14(8-11)20-5-6-21-16-4-3-13(18)10-15(16)17(19)22/h3-4,7-10H,5-6H2,1-2H3,(H2,19,22)