3-bromanyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide

Systemtic Name: 3-bromanyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide Openeye Name: 3-bromo-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide CAS Name: 3-bromo-5-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-bromo-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide Traditional Name: 3-bromo-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)thiobenzamide Formula: C15H22BrN2O3S+ MolecularWeight: 390.31578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N)Br)OCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N)Br)OCC[NH+]2CCOCC2

InChI

InChI=1S/C15H21BrN2O3S/c1-2-20-13-10-11(15(17)22)9-12(16)14(13)21-8-5-18-3-6-19-7-4-18/h9-10H,2-8H2,1H3,(H2,17,22)/p+1