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

Systemtic Name: ethyl 4-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-bromo-4-isobutoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-4-27-20(26)14-5-8-16(9-6-14)23-21(29)24-19(25)15-7-10-18(17(22)11-15)28-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H2,23,24,25,29)