ethyl 4-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-bromo-3-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-3-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromo-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C19H19BrN2O4S/c1-3-25-18(24)13-4-6-14(7-5-13)21-19(27)22-17(23)11-26-15-8-9-16(20)12(2)10-15/h4-10H,3,11H2,1-2H3,(H2,21,22,23,27)