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

Systemtic Name: propyl 4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4S/c1-3-11-27-19(25)13-5-8-15(9-6-13)22-20(28)23-18(24)14-7-10-17(26-4-2)16(21)12-14/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23,24,28)