propyl 4-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-bromo-4-isobutoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S/c1-4-11-28-21(27)15-5-8-17(9-6-15)24-22(30)25-20(26)16-7-10-19(18(23)12-16)29-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,24,25,26,30)