3-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(4-butoxyphenyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[(4-butoxyanilino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(4-butoxyphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(4-butoxyphenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-3-5-12-26-16-9-7-15(8-10-16)22-20(27)23-19(24)14-6-11-18(25-4-2)17(21)13-14/h6-11,13H,3-5,12H2,1-2H3,(H2,22,23,24,27)