butyl 4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-3-5-12-28-20(26)14-6-9-16(10-7-14)23-21(29)24-19(25)15-8-11-18(27-4-2)17(22)13-15/h6-11,13H,3-5,12H2,1-2H3,(H2,23,24,25,29)