5-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-4-12-27(13-5-2)22(29)16-8-7-9-18(14-16)25-23(31)26-21(28)19-15-17(24)10-11-20(19)30-6-3/h7-11,14-15H,4-6,12-13H2,1-3H3,(H2,25,26,28,31)