ethyl 4-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-phenethyloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H23BrN2O4S MolecularWeight: 527.43012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H23BrN2O4S/c1-2-31-24(30)18-8-11-20(12-9-18)27-25(33)28-23(29)21-16-19(26)10-13-22(21)32-15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H2,27,28,29,33)