3-bromanyl-4-ethoxy-N-(2-oxidanylpropylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-(2-oxidanylpropylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-ethoxy-N-(2-hydroxypropylcarbamothioyl)benzamide CAS Name: 3-bromo-4-ethoxy-N-[(2-hydroxypropylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-(2-hydroxypropylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-ethoxy-N-(2-hydroxypropylthiocarbamoyl)benzamide Formula: C13H17BrN2O3S MolecularWeight: 361.25468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC(C)O)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC(C)O)Br

InChI

InChI=1S/C13H17BrN2O3S/c1-3-19-11-5-4-9(6-10(11)14)12(18)16-13(20)15-7-8(2)17/h4-6,8,17H,3,7H2,1-2H3,(H2,15,16,18,20)